SCHEMBL21394876

SCHEMBL21394876

Cn1cc(C(=O)Nc2ccc(CNc3cccc(Cl)c3)cn2)ccc1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.48
CREBBP Q92793 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 2/20 0.46
FLT1 P17948 2/20 0.44
KDR P35968 2/20 0.44
F10 P00742 7/20 0.43
METTL3 Q86U44 1/20 0.41
KLKB1 P03952 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL29353894 1.00 SCD (0.48) SCDCREBBPMEN1KMT2ALMNA
SCHEMBL29356860 0.85 ALDH1A1 (0.48) CREBBPMEN1KMT2ALMNAMAPT
SCHEMBL21394825 0.85 ALDH1A1 (0.48) CREBBPMEN1KMT2ALMNAMAPT
SCHEMBL22479687 0.84 CREBBP (0.51) CREBBPMEN1KMT2ALMNAMAPT
SCHEMBL21395259 0.84 MEN1 (0.49) SCDMEN1KMT2AMAPTALDH1A1
SCHEMBL29354534 0.84 MEN1 (0.49) SCDMEN1KMT2AMAPTALDH1A1
SCHEMBL29358548 0.83 MEN1 (0.54) CREBBPMEN1KMT2AALDH1A1F10
SCHEMBL21394948 0.83 MEN1 (0.54) CREBBPMEN1KMT2AALDH1A1F10
SCHEMBL21394506 0.81 RAB9A (0.49) KMT2ALMNAMAPTALDH1A1F10
SCHEMBL21395089 0.79 MEN1 (0.52) CREBBPMEN1KMT2ALMNAALDH1A1

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