SCHEMBL31444352

SCHEMBL31444352

O=C1CCC(c2ccccc2Cl)N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PBRM1 Q86U86 1/20 0.41
IKBKB O14920 1/20 0.40
SLC6A3 Q01959 2/20 0.40
RAB9A P51151 1/20 0.39
MAPT P10636 1/20 0.38
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38
CACNA1F O60840 1/20 0.38

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
SCHEMBL19745457 1.00 GAA (0.56) GAASMN1; SMN2TP53RECQLALDH1A1
SCHEMBL14458002 0.79 SRD5A1 (0.52) GAASMN1; SMN2TP53ALDH1A1KDM4E
SCHEMBL31444260 0.79 SMN1; SMN2 (0.44) GAASMN1; SMN2TP53RECQLALDH1A1
SCHEMBL9025372 0.79 SMN1; SMN2 (0.50) GAASMN1; SMN2TP53RECQLALDH1A1
SCHEMBL24282772 0.79 TNKS2 (0.42) GAAALDH1A1TNKS2IKBKBRAB9A
SCHEMBL16796822 0.79 DDB1 (0.57) GAAALDH1A1KDM4EHSD17B10TNKS2
SCHEMBL22201148 0.79 DDB1 (0.57) GAAALDH1A1KDM4EHSD17B10TNKS2
SCHEMBL5889291 0.79 IKBKB (0.42) GAASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL1438939 0.77 SMN1; SMN2 (0.45) GAASMN1; SMN2TP53RECQLALDH1A1
SCHEMBL1438936 0.77 SMN1; SMN2 (0.45) GAASMN1; SMN2TP53RECQLALDH1A1

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-2025072451-A1 RAS-PI3K INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNOLOGICAL DISEASES VIVIDION THERAPEUTICS, INC. (US) 2025-04-03 WO disclosed