SCHEMBL21395063

SCHEMBL21395063

COc1ccc(Cc2ccc(NC(=O)c3ccc(=O)n(C)c3)nc2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 3/20 0.42
CXCR2 P25025 1/20 0.41
CREBBP Q92793 1/20 0.40
HDAC1 Q13547 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
CYP2C19 P33261 1/20 0.39
HCAR3 P49019 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
GRM2 Q14416 1/20 0.38
PRKAA2 P54646 1/20 0.38
NNMT P40261 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
SCHEMBL29356761 1.00 DEGS1 (0.42) DEGS1CXCR2CREBBPHDAC1MEN1
SCHEMBL21394706 0.90 WNT1 (0.42) DEGS1CREBBPMEN1KMT2ANPC1
SCHEMBL21394506 0.86 RAB9A (0.49) DEGS1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL21395172 0.86 DEGS1 (0.44) DEGS1CREBBPHDAC1NPC1RAB9A
SCHEMBL29356712 0.85 SMN1; SMN2 (0.44) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL21394842 0.85 SMN1; SMN2 (0.44) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL29353782 0.85 KDM4E (0.51) DEGS1CXCR2CREBBPNPC1RAB9A
SCHEMBL21394550 0.85 KDM4E (0.51) DEGS1CXCR2CREBBPNPC1RAB9A
SCHEMBL21395106 0.84 SMN1; SMN2 (0.44) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL29358074 0.84 SMN1; SMN2 (0.44) MEN1KMT2ANPC1RAB9ASMN1; 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