SCHEMBL31541427

SCHEMBL31541427

OB(O)c1ccc(N2CC3(CCNCC3)C2)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
HSD17B10 Q99714 7/20 0.55
CYP1A2 P05177 5/20 0.55
HPGD P15428 4/20 0.55
RET P07949 3/20 0.43
CYP2D6 P10635 10/20 0.43
TSHR P16473 7/20 0.43
CYP3A4 P08684 6/20 0.43
USP2 O75604 6/20 0.43
CYP2C19 P33261 4/20 0.43
CYP2C9 P11712 3/20 0.43
MAPK1 P28482 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 2/20 0.39
HIF1A Q16665 1/20 0.37
ALOX15 P16050 1/20 0.34
KCNH2 Q12809 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL31642145 0.87 ALDH1A1 (0.38) ALDH1A1HSD17B10CYP1A2HPGDRET
SCHEMBL723901 0.80 PLD1 (0.49) ALDH1A1HSD17B10CYP1A2HPGDRET
SCHEMBL29516634 0.80 PLD1 (0.49) ALDH1A1HSD17B10CYP1A2HPGDRET
SCHEMBL31541401 0.78 ACVR1 (0.36) ALDH1A1HSD17B10CYP1A2HPGD
SCHEMBL26100489 0.75 CHRNB2 (0.44)
SCHEMBL16430513 0.75 ALDH1A1 (0.56) ALDH1A1HSD17B10CYP1A2HPGDRET
SCHEMBL16431015 0.72 ALDH1A1 (0.52) ALDH1A1HSD17B10CYP1A2HPGDRET
SCHEMBL676085 0.72 UBE2T (0.51) ALDH1A1HSD17B10HPGDSMN1; SMN2MEN1
SCHEMBL29377204 0.72 UBE2T (0.51) ALDH1A1HSD17B10HPGDSMN1; SMN2MEN1
SCHEMBL29712225 0.71 SMN1; SMN2 (0.47) ALDH1A1HSD17B10CYP1A2HPGDRET

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-2025061029-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF 3H PHARMACEUTICALS CO., LTD. (CN) 2025-03-27 WO disclosed