SCHEMBL22129472

SCHEMBL22129472

COc1ccc2cc(C(=O)O)nn2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
NFKB1 P19838 1/20 0.47
RAB9A P51151 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RPA1 P27694 3/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.43
RECQL P46063 1/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL22147872 0.86 TP53 (0.49) MAPTNPC1TP53PKMNFKB1
SCHEMBL31066545 0.79 NPC1 (0.41) MAPTNPC1TP53RAB9ASMN1; SMN2
SCHEMBL4913919 0.78 TP53 (0.47) MAPTNPC1TP53PKMNFKB1
SCHEMBL27038193 0.77 NPC1 (0.36) MAPTNPC1TP53PKMNFKB1
SCHEMBL4914133 0.76 KMT2A (0.43) NPC1TP53RAB9ARPA1KDM4E
SCHEMBL3811214 0.76 KDM4E (0.46) MAPTNPC1RAB9ASMN1; SMN2RPA1
SCHEMBL3813756 0.76 RPA1 (0.45) MAPTTP53SMN1; SMN2RPA1KDM4E
SCHEMBL28521561 0.74 RPA1 (0.40) MAPTRPA1KDM4EALDH1A1L3MBTL1
SCHEMBL31052618 0.73 LMNA (0.39) MAPTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL6821430 0.73 PDE10A (0.46) MAPTNPC1TP53RAB9ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111349093-B 5, 6-bicyclic compounds as WNT signal pathway inhibitors and medical application thereof 汇瀚医疗科技有限公司 2021-07-02 CN disclosed
CN-111349093-A 5, 6-bicyclic compounds as WNT signal pathway inhibitors and medical application thereof 汇瀚医疗科技有限公司 2020-06-30 CN disclosed
WO-2020125759-A1 COMPOUND AS WNT SIGNAL PATHWAY INHIBITOR AND MEDICAL USE THEREOF 汇瀚医疗科技有限公司 2020-06-25 WO disclosed
WO-2020125759-A1 COMPOUND AS WNT SIGNAL PATHWAY INHIBITOR AND MEDICAL USE THEREOF 汇瀚医疗科技有限公司 2020-06-25 WO disclosed