SCHEMBL7328447

SCHEMBL7328447

c1ccc(-c2csc(Nc3nc4c(c(-c5ccccc5)n3)CNCC4)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.50
▸ KMT2A Q03164 8/20 0.50
▸ RAB9A P51151 8/20 0.50
▸ NPC1 O15118 5/20 0.50
▸ SMN1; SMN2 Q16637 5/20 0.50
▸ MAPT P10636 5/20 0.50
▸ SENP8 Q96LD8 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ SENP6 Q9GZR1 1/20 0.50
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ HTR2A P28223 2/20 0.48
▸ HTR2C P28335 2/20 0.48
▸ HTR2B P41595 2/20 0.48
▸ GFER P55789 1/20 0.44
▸ ALOX5 P09917 2/20 0.43
▸ AMY1A P0DUB6 1/20 0.43

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
SCHEMBL7331115 0.94 ALOX5 (0.51) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7333786 0.94 MEN1 (0.50) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7329378 0.94 HTR2A (0.59) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7334714 0.91 KMT2A (0.53) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL7328556 0.74 MEN1 (0.47) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL15993611 0.68 NPC1 (1.00) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL2343704 0.67 HTR2A (0.57) HTR2AHTR2CHTR2BVCP
SCHEMBL183544 0.67 HTR2C (0.64) MAPTCYP3A4HTR2AHTR2CHTR2B
SCHEMBL183458 0.66 HTR2C (0.84) HTR2AHTR2CHTR2B
SCHEMBL1822611 0.66 SMN1; SMN2 (0.84) MEN1KMT2ARAB9ANPC1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5405848-A Substituted thiazolylaminotetrahydropyridopyrimidines derivatives useful as platelet aggregation inhibitors ORTHO PHARMACEUTICAL CORPORATION (US) 1995-04-11 — — US claimed
US-5405848-A Substituted thiazolylaminotetrahydropyridopyrimidines derivatives useful as platelet aggregation inhibitors ORTHO PHARMACEUTICAL CORPORATION (US) 1995-04-11 — — US disclosed
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