SCHEMBL7796438

SCHEMBL7796438

O=C1c2cccc(OCCCCN3CCCC3)c2-c2cccc(OCCCCN3CCCC3)c21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM2 O94759 1/20 0.57
PARP1 P09874 1/20 0.57
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 9/20 0.55
KMT2A Q03164 5/20 0.55
KDM4E B2RXH2 4/20 0.55
MEN1 O00255 4/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.55
POLB P06746 1/20 0.55
CYP1A2 P05177 3/20 0.55
CYP2D6 P10635 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
CYP2C19 P33261 2/20 0.55
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
KCNA3 P22001 1/20 0.53
HRH3 Q9Y5N1 4/20 0.53
HTR2A P28223 2/20 0.53
HTR7 P34969 2/20 0.53

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
SCHEMBL7786369 0.99 TRPM2 (0.59) TRPM2PARP1TDP1ALDH1A1KMT2A
SCHEMBL7786544 0.95 ALDH1A1 (0.56) TRPM2PARP1ALDH1A1KMT2AKDM4E
SCHEMBL7786224 0.92 KDM4E (0.53) TRPM2PARP1TDP1ALDH1A1KMT2A
SCHEMBL7795762 0.90 KDM4E (0.55) TRPM2PARP1TDP1ALDH1A1KMT2A
SCHEMBL7792581 0.88 USP2 (0.54) TDP1ALDH1A1KDM4EPOLBCYP1A2
SCHEMBL5749208 0.86 ALDH1A1 (0.57) TRPM2PARP1TDP1ALDH1A1KMT2A
SCHEMBL5746735 0.85 ALDH1A1 (0.58) TRPM2PARP1ALDH1A1KMT2AKDM4E
SCHEMBL7794714 0.84 HRH3 (0.53) TRPM2PARP1ALDH1A1KDM4EKCNA3
Hydrochloric Acid SCHEMBL11704257 0.84 ALDH1A1 (0.57) TRPM2PARP1ALDH1A1KMT2AKDM4E
SCHEMBL7794764 0.84 USP2 (0.58) TDP1ALDH1A1KDM4EPOLBCYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed
EP-0906268-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-04-07 EP disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 WO disclosed