SCHEMBL21394623

SCHEMBL21394623

O=C(Nc1ccc(Cc2cc(F)cc(Cl)c2)cn1)c1ccc(CO)nc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 2/20 0.44
PKM P14618 1/20 0.44
CXCR2 P25025 1/20 0.41
F10 P00742 4/20 0.41
CYP3A4 P08684 2/20 0.40
GRM5 P41594 1/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.39
DEGS1 O15121 1/20 0.39
GCK P35557 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
SCHEMBL29357089 1.00 RAB9A (0.44) RAB9ATSHRSMN1; SMN2ALDH1A1NPC1
SCHEMBL29356271 0.87 HDAC3 (0.45) RAB9ATSHRSMN1; SMN2ALDH1A1NPC1
SCHEMBL21394659 0.87 HDAC3 (0.45) RAB9ATSHRSMN1; SMN2ALDH1A1NPC1
SCHEMBL21394826 0.86 KDM4E (0.51) ALDH1A1CXCR2KDM4EDEGS1GCK
SCHEMBL29358571 0.86 KDM4E (0.51) ALDH1A1CXCR2KDM4EDEGS1GCK
SCHEMBL21394466 0.85 ALDH1A1 (0.48) RAB9ATSHRSMN1; SMN2ALDH1A1NPC1
SCHEMBL29356935 0.85 ALDH1A1 (0.48) RAB9ATSHRSMN1; SMN2ALDH1A1NPC1
SCHEMBL21394624 0.85 NPC1 (0.48) RAB9ATSHRSMN1; SMN2ALDH1A1NPC1
SCHEMBL29358776 0.85 NPC1 (0.48) RAB9ATSHRSMN1; SMN2ALDH1A1NPC1
SCHEMBL21395032 0.79 SMN1; SMN2 (0.42) RAB9ATSHRSMN1; SMN2ALDH1A1NPC1

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