SCHEMBL8443200

SCHEMBL8443200

COCCCOc1ccnc(-c2nc3ccccc3n2SC)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.42
▸ HPGD P15428 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ OPRM1 P35372 2/20 0.42
▸ DDAH1 O94760 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ ADORA3 P0DMS8 1/20 0.42
▸ IDE P14735 1/20 0.42
▸ ADRA2B P18089 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ ACHE P22303 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ NPY1R P25929 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ DRD3 P35462 1/20 0.42

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
SCHEMBL8668968 0.94 SMN1; SMN2 (0.39) KMT2AHPGDLMNACYP2C9ALDH1A1
SCHEMBL8668399 0.92 ALDH1A1 (0.37) KMT2AHPGDLMNACYP2C9ALDH1A1
SCHEMBL8669339 0.89 MEN1 (0.39) KMT2ALMNAALDH1A1NPC1RAB9A
SCHEMBL8672723 0.88 MEN1 (0.38) KMT2AHPGDLMNAALDH1A1MAPT
SCHEMBL8550349 0.86 KDM4E (0.42) KMT2AHPGDLMNAALDH1A1MAPT
SCHEMBL8441860 0.83 DRD2 (0.46) ADRA1ADRD3KCNH2
SCHEMBL5134227 0.82 MAPT (0.51) KMT2AHPGDLMNACYP2C9ALDH1A1
SCHEMBL8551897 0.82 LMNA (0.35) KMT2ALMNAMAPTNPC1GAA
SCHEMBL8672735 0.82 MAPT (0.37) KMT2ALMNAMAPTSMN1; SMN2POLB
SCHEMBL8443201 0.82 TDP1 (0.44) HTR1ADRD3HSD17B10SMN1; SMN2TSHR

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
US-5916904-A ANTIULCER EISAI CO., LTD. (JP) 1999-06-29 — — US disclosed
US-5840910-A Pyridine derivatives having anti-ulcerative activity ESAI CO., LTD. (JP) 1998-11-24 — — US disclosed
EP-0585722-B1 Benzimidazole derivatives as antimicrobal agent against Campylobacter pylon EISAI CO LTD (JP) 1996-05-15 — — EP disclosed
EP-0585722-A1 Benzimidazole derivatives as antimicrobal agent against Campylobacter pylon Eisai Co., Ltd. (JP) 1994-03-09 — — EP disclosed
Send feedback