SCHEMBL3792337

SCHEMBL3792337

O=C(Nc1nccs1)c1ccc(Cl)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 13/20 0.62
▸ NPC1 O15118 12/20 0.62
▸ MEN1 O00255 4/20 0.62
▸ KMT2A Q03164 4/20 0.62
▸ SMN1; SMN2 Q16637 3/20 0.62
▸ LMNA P02545 3/20 0.62
▸ L3MBTL1 Q9Y468 2/20 0.62
▸ RECQL P46063 1/20 0.62
▸ POLB P06746 2/20 0.60
▸ SCD O00767 1/20 0.59
▸ MAPT P10636 3/20 0.58
▸ HSD17B10 Q99714 2/20 0.58
▸ ESR2 Q92731 1/20 0.58
▸ AGER Q15109 1/20 0.58
▸ KDM4E B2RXH2 1/20 0.57
▸ PKM P14618 1/20 0.56
▸ METAP2 P50579 1/20 0.56
▸ METAP1 P53582 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.56
▸ HPGD P15428 1/20 0.56

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
SCHEMBL28801036 0.83 NPC1 (0.72) RAB9ANPC1MEN1KMT2ASMN1; SMN2
Bromide SCHEMBL27908399 0.82 NPC1 (0.70) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL4290771 0.78 NPC1 (0.79) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL3178619 0.78 NPC1 (0.72) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL14880181 0.78 NPC1 (0.61) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL3200814 0.77 NPC1 (1.00) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL8797071 0.77 NPC1 (0.62) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL2307971 0.77 RAB9A (0.72) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL9963854 0.77 RAB9A (0.89) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL3223685 0.77 RAB9A (1.00) RAB9ANPC1MEN1KMT2ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010143803-A2 NEW NICOTINAMIDE DERIVATIVES WITH ANTI-ANDROGEN EFFECTS, PROCESSES OF PREPARING, AND ANTIANDROGENS COMPRISING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2010-12-16 — — WO claimed
WO-2010143803-A2 NEW NICOTINAMIDE DERIVATIVES WITH ANTI-ANDROGEN EFFECTS, PROCESSES OF PREPARING, AND ANTIANDROGENS COMPRISING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2010-12-16 — — WO disclosed
WO-2010143803-A2 NEW NICOTINAMIDE DERIVATIVES WITH ANTI-ANDROGEN EFFECTS, PROCESSES OF PREPARING, AND ANTIANDROGENS COMPRISING THE SAME INDUSTRY FOUNDATION OF CHONNAM NATIONAL UNIVERSITY (KR) 2010-12-16 — — WO disclosed
Send feedback