SCHEMBL11261226

SCHEMBL11261226

CC(=O)N(Nc1ccccc1)c1nc2cc3nc(N(Nc4ccccc4)C(C)=O)sc3cc2s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.40
▸ NPC1 O15118 9/20 0.40
▸ SMN1; SMN2 Q16637 8/20 0.40
▸ LMNA P02545 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ DYRK1B Q9Y463 1/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ POLB P06746 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KMT2A Q03164 2/20 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
SCHEMBL11255847 0.93 NPC1 (0.48) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL11255522 0.76 HTR2C (0.39) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL11255763 0.76 HTR2C (0.41) RAB9ANPC1SMN1; SMN2TP53ALOX15
SCHEMBL11265289 0.74 HTR2C (0.40) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL11256909 0.72 ALDH1A1 (0.39) RAB9ANPC1LMNAALDH1A1MEN1
SCHEMBL11253480 0.71 ALDH1A1 (0.41) RAB9ANPC1LMNAALDH1A1MEN1
SCHEMBL11270188 0.71 ALDH1A1 (0.41) RAB9ANPC1LMNAALDH1A1MEN1
SCHEMBL11258407 0.70 HTR2C (0.43) RAB9ANPC1SMN1; SMN2LMNATP53
SCHEMBL744075 0.69 RAB9A (0.65) RAB9ANPC1SMN1; SMN2TP53TSHR
SCHEMBL11254540 0.69 HTR2C (0.45) RAB9ANPC1SMN1; SMN2LMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
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