SCHEMBL21394592

SCHEMBL21394592

COc1cccc(Cc2ccc(NC(=O)C3=NN(C)C(=O)CC3)nc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.43
NPC1 O15118 7/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
TP53 P04637 4/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PKM P14618 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NR3C2 P08235 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
GPR52 Q9Y2T5 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
SCHEMBL29358240 1.00 RAB9A (0.43) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL28532987 0.90 GPR52 (0.39) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL22479693 0.88 RAB9A (0.45) RAB9ASMN1; SMN2MAPT
SCHEMBL21394756 0.87 RAB9A (0.42) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL21394773 0.87 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL29353770 0.87 RAB9A (0.44) RAB9ANPC1SMN1; SMN2TP53CYP1A2
SCHEMBL29358581 0.87 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL21394559 0.87 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1TSHR
SCHEMBL21395053 0.87 RAB9A (0.44) RAB9ANPC1SMN1; SMN2TP53CYP1A2
SCHEMBL29354631 0.87 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT

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 9 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
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP 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-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