SCHEMBL7476350

SCHEMBL7476350

O=C(O)c1ccccc1N(CCCl)CCCl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
ALOX15 P16050 1/20 0.48
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
PTPN1 P18031 7/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HMGB1 P09429 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
CA14 Q9ULX7 1/20 0.42
MAPT P10636 2/20 0.41
HDAC8 Q9BY41 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7471141 0.85 ALDH1A1 (0.44) ALDH1A1ALOX15EGFRERBB2KDM4E
SCHEMBL9280704 0.85 PTPN1 (0.50) ALDH1A1ALOX15PTPN1KDM4EHPGD
SCHEMBL4086031 0.83 TP53 (0.52) ALDH1A1ALOX15PTPN1KDM4ESMN1; SMN2
SCHEMBL1831428 0.83 EGFR (0.36) ALDH1A1ALOX15EGFRERBB2PTPN1
SCHEMBL290438 0.81 PTPN1 (0.48) ALDH1A1ALOX15PTPN1KDM4EHPGD
SCHEMBL29948069 0.81 PTPN1 (0.48) ALDH1A1ALOX15PTPN1KDM4EHPGD
SCHEMBL3691710 0.80 ALDH1A1 (0.55) ALDH1A1ALOX15KDM4EHPGDCA12
SCHEMBL3784268 0.79 ALDH1A1 (0.50) ALDH1A1PTPN1KDM4ECA12CA9
Hydrochloric Acid SCHEMBL15209621 0.79 ALDH1A1 (0.53) ALDH1A1ALOX15KDM4EHPGDCA12
SCHEMBL1668024 0.78 TP53 (0.53) ALDH1A1ALOX15PTPN1KDM4EHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113979954-B Tinich antitumor drug compound and preparation method and application thereof 南京友怡医药科技有限公司 2024-09-13 CN disclosed
EP-0711768-B1 BENZIMIDAZOLE DERIVATIVE MITSUI CHEMICALS INC (JP) 2002-02-13 EP disclosed
US-5852011-A Benzimidazole derivatives MITSUI CHEMICALS, INC. (JP) 1998-12-22 US disclosed
US-5807688-A ANTIBODY DIRECTED ANZYME PRODRUG THERAPY ZENECA LIMITED (GB) 1998-09-15 US disclosed
US-5716990-A PRODRUGS CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 1998-02-10 US disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 EP disclosed
EP-0428700-B1 IRREVERSIBLE BOMBESIN ANTAGONISTS ERBA CARLO SPA (IT) 1994-05-04 EP disclosed
EP-0408546-B1 IMPROVEMENTS RELATING TO DRUG DELIVERY SYSTEMS CANCER RES CAMPAIGN TECH (GB) 1994-04-27 EP disclosed
EP-0452447-A1 REDUCED IRREVERSIBLE BOMBESIN ANTAGONISTS FARMITALIA CARLO ERBA S.r.l. (IT) 1991-10-23 EP disclosed
EP-0428700-A1 IRREVERSIBLE BOMBESIN ANTAGONISTS. ERBA CARLO SPA (IT) 1991-05-29 EP disclosed
WO-1991006563-A1 REDUCED IRREVERSIBLE BOMBESIN ANTAGONISTS FARMITALIA CARLO ERBA S.R.L. (IT) 1991-05-16 WO disclosed
EP-0408546-A1 IMPROVEMENTS RELATING TO DRUG DELIVERY SYSTEMS. CANCER RES CAMPAIGN TECH (GB) 1991-01-23 EP disclosed
WO-1990015819-A1 IRREVERSIBLE BOMBESIN ANTAGONISTS FARMITALIA CARLO ERBA S.R.L. (IT) 1990-12-27 WO disclosed
EP-0402852-A1 Irreversible bombesin antagonists FARMITALIA CARLO ERBA S.r.l. (IT) 1990-12-19 EP disclosed
WO-1988007378-A1 IMPROVEMENTS RELATING TO DRUG DELIVERY SYSTEMS CANCER RESEARCH CAMPAIGN TECHNOLOGY LTD. (GB) 1988-10-06 WO disclosed