SCHEMBL21394445

SCHEMBL21394445

Cn1cc(C(=O)Nc2ccc(Cc3cccc(F)c3)nn2)ccc1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 1/20 0.45
BRD4 O60885 2/20 0.44
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SNCA P37840 1/20 0.39
GLS O94925 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ABL1 P00519 2/20 0.38
SRC P12931 2/20 0.38
P2RY14 Q15391 1/20 0.38
ROCK2 O75116 1/20 0.38
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL29357564 1.00 CREBBP (0.45) CREBBPBRD4TP53NPC1NFKB1
SCHEMBL21394942 0.88 TP53 (0.46) BRD4TP53NPC1NFKB1RAB9A
SCHEMBL21394510 0.88 ALDH1A1 (0.48) CREBBPBRD4NPC1SMN1; SMN2GLS
SCHEMBL29358244 0.88 ALDH1A1 (0.48) CREBBPBRD4NPC1SMN1; SMN2GLS
SCHEMBL21394601 0.84 NPC1 (0.46) CREBBPTP53NPC1RAB9ASMN1; SMN2
SCHEMBL29356936 0.84 NPC1 (0.46) CREBBPTP53NPC1RAB9ASMN1; SMN2
SCHEMBL29358116 0.82 TSHR (0.47) BRD4NPC1NFKB1RAB9ANFKB2
SCHEMBL21394582 0.82 TSHR (0.47) BRD4NPC1NFKB1RAB9ANFKB2
SCHEMBL21394413 0.80 CREBBP (0.55) CREBBPTP53NPC1RAB9ASMN1; SMN2
SCHEMBL29353926 0.80 CREBBP (0.55) CREBBPTP53NPC1RAB9ASMN1; 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 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