SCHEMBL14136368

SCHEMBL14136368

Cc1ccc2oc(C3CCN(C)CC3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 1/20 0.47
TP53 P04637 4/20 0.46
THRB P10828 1/20 0.46
KDM4E B2RXH2 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
GABRP O00591 1/20 0.43
GABRD O14764 1/20 0.43
GABRA1 P14867 1/20 0.43
GABRB1 P18505 1/20 0.43
GABRG2 P18507 1/20 0.43
GABRB3 P28472 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43

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
SCHEMBL20304443 0.84 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL29780578 0.84 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL6125251 0.82 LMNA (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL14136369 0.81 ALDH1A1 (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL10267105 0.81 USP30 (0.47) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2708939 0.81 MPO (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL29892036 0.81 MPO (0.59) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL26226192 0.81 RAB9A (0.54) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1
SCHEMBL13810503 0.81 LMNA (0.61) ALDH1A1NPSR1TP53THRBMAPT
SCHEMBL6125245 0.80 LMNA (0.52) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1

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-2023184327-A1 KINASE INHIBITORS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2023-10-05 WO disclosed
WO-2021030620-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-02-18 WO disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed