SCHEMBL21394847

SCHEMBL21394847

Cc1cnc(C(=O)Nc2ccc(Cc3cccc(F)c3)cn2)nc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.50
RAB9A P51151 7/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
TP53 P04637 3/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GPR52 Q9Y2T5 1/20 0.43
SNCA P37840 1/20 0.43
POLB P06746 1/20 0.43
WNT3A P56704 1/20 0.43
NR3C2 P08235 1/20 0.42

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
SCHEMBL29355531 1.00 NPC1 (0.50) NPC1RAB9AL3MBTL1KDM4EALDH1A1
SCHEMBL21394724 0.92 NPC1 (0.48) NPC1RAB9AL3MBTL1KDM4EALDH1A1
SCHEMBL21394999 0.90 NPC1 (0.46) NPC1RAB9AL3MBTL1KDM4EALDH1A1
SCHEMBL21395183 0.89 NPC1 (0.47) NPC1RAB9AL3MBTL1KDM4EALDH1A1
SCHEMBL21394721 0.86 SIRT2 (0.44) NPC1RAB9AALDH1A1SMN1; SMN2PKM
SCHEMBL21394764 0.84 NPC1 (0.50) NPC1RAB9AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL21394763 0.84 NPC1 (0.51) NPC1RAB9AL3MBTL1KDM4EALDH1A1
SCHEMBL29355382 0.84 NPC1 (0.51) NPC1RAB9AL3MBTL1KDM4EALDH1A1
SCHEMBL21394754 0.81 NPC1 (0.46) NPC1RAB9AL3MBTL1KDM4EALDH1A1
SCHEMBL21394828 0.81 SMN1; SMN2 (0.53) NPC1RAB9AL3MBTL1KDM4EALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
CN-112312913-A Compounds and uses thereof 优曼尼蒂治疗公司 2021-02-02 CN disclosed
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed