SCHEMBL9717875

SCHEMBL9717875

O=C(c1ccccc1)c1ccc(NCC2=CSC(c3cccnc3)N2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 2/20 0.45
▸ VNN1 O95497 2/20 0.42
▸ GALR3 O60755 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PLOD2 O00469 1/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ PTAFR P25105 1/20 0.37
▸ DHFR P00374 1/20 0.37

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
SCHEMBL9717898 0.91 PTAFR (0.45) NAMPTVNN1PTAFR
Hydrochloric Acid SCHEMBL9717927 0.90 PTAFR (0.44) NAMPTVNN1PTAFR
SCHEMBL9717904 0.86 VNN1 (0.39) NAMPTVNN1ALDH1A1KDM4ECYP1A2
SCHEMBL9717893 0.83 ALDH1A1 (0.41) NAMPTRAB9ATDP1ALDH1A1KDM4E
SCHEMBL9738340 0.82 TSHR (0.51) NAMPTRAB9AL3MBTL1PTAFR
Hydrochloric Acid SCHEMBL9717955 0.81 TSHR (0.50) NAMPTRAB9AL3MBTL1PTAFR
SCHEMBL9646322 0.79 PTAFR (0.47) GALR3RAB9ATDP1ALDH1A1L3MBTL1
SCHEMBL9717971 0.75 GRM2 (0.46) ALDH1A1KDM4EHTTPTAFR
SCHEMBL9717886 0.75 KDM4E (0.52) NAMPTALDH1A1KDM4EPTAFR
Hydrochloric Acid SCHEMBL9717928 0.75 GRM2 (0.46) ALDH1A1KDM4EHTTPTAFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992019618-A1 PLATELET ACTIVATING ANTAGONISTS ABBOTT LABORATORIES (US) 1992-11-12 — — WO claimed
WO-1992019618-A1 PLATELET ACTIVATING ANTAGONISTS ABBOTT LABORATORIES (US) 1992-11-12 — — WO disclosed
US-5149704-A Pyridyl- or thiazolidineaminesor ureas ABBOTT LABORATORIES (US) 1992-09-22 — — US disclosed
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