SCHEMBL25864467

SCHEMBL25864467

N#Cc1cc(-c2cccc(-c3nc4ccccc4o3)c2)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
NPC1 O15118 6/20 0.46
MAPT P10636 4/20 0.46
ALDH1A1 P00352 7/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
TP53 P04637 5/20 0.46
KDM4E B2RXH2 5/20 0.46
HPGD P15428 5/20 0.46
HSD17B10 Q99714 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ATM Q13315 1/20 0.46
PTGS2 P35354 1/20 0.45
HSPD1 P10809 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN5 P54829 1/20 0.45
HSPE1 P61604 1/20 0.45
PKM P14618 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL5832739 0.84 PTGS2 (0.52) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL12076741 0.81 ALDH1A1 (0.62) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL12376180 0.79 ALDH1A1 (0.60) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL376001 0.79 ALDH1A1 (0.64) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL5832003 0.79 KDM6B (0.52) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL23606982 0.79 NPC1 (0.45) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL26269471 0.79 SMN1; SMN2 (0.46) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL25864463 0.78 TP53 (0.44) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL24881975 0.78 SMN1; SMN2 (0.60) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL30522740 0.78 RAB9A (0.61) RAB9ANPC1MAPTALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023136586-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-07-20 WO disclosed