SCHEMBL21394481

SCHEMBL21394481

CCn1nc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)ccc1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.43
MME P08473 1/20 0.42
POLB P06746 1/20 0.41
LMNA P02545 3/20 0.41
P2RY14 Q15391 1/20 0.39
FPR1 P21462 2/20 0.39
FPR2 P25090 2/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
PTGER1 P34995 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
TP53 P04637 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
SCHEMBL29358443 1.00 RAB9A (0.46) RAB9ASMN1; SMN2NPC1TSHRALDH1A1
SCHEMBL29358498 0.89 ABCC8 (0.50) RAB9ASMN1; SMN2NPC1TSHRALDH1A1
SCHEMBL21384506 0.89 ABCC8 (0.50) RAB9ASMN1; SMN2NPC1TSHRALDH1A1
SCHEMBL21394760 0.88 L3MBTL1 (0.47) RAB9ASMN1; SMN2NPC1TSHRALDH1A1
SCHEMBL29354586 0.88 L3MBTL1 (0.47) RAB9ASMN1; SMN2NPC1TSHRALDH1A1
SCHEMBL21395180 0.88 RAB9A (0.45) RAB9ASMN1; SMN2NPC1TSHRALDH1A1
SCHEMBL29359042 0.88 SMN1; SMN2 (0.45) RAB9ASMN1; SMN2NPC1TSHRALDH1A1
SCHEMBL21394625 0.88 SMN1; SMN2 (0.45) RAB9ASMN1; SMN2NPC1TSHRALDH1A1
SCHEMBL21394720 0.88 MME (0.42) RAB9ASMN1; SMN2NPC1TSHRALDH1A1
SCHEMBL21394980 0.85 ALDH1A1 (0.42) RAB9ASMN1; SMN2NPC1TSHRALDH1A1

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