SCHEMBL21394811

SCHEMBL21394811

Cn1cc(NC(=O)c2ccc(Cc3cccc(Cl)c3)cn2)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
FSCN1 Q16658 1/20 0.42
MAPT P10636 5/20 0.42
P4HTM Q9NXG6 1/20 0.42
TP53 P04637 1/20 0.41
HIF1A Q16665 1/20 0.41
FFAR1 O14842 1/20 0.41
SNCA P37840 1/20 0.41
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ABL1 P00519 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL29357022 1.00 ALDH1A1 (0.44) ALDH1A1LMNAMEN1KMT2AFSCN1
SCHEMBL22479628 0.85 ALDH1A1 (0.50) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL21384174 0.84 MET (0.44) ALDH1A1LMNAMEN1KMT2AFSCN1
SCHEMBL29357023 0.84 MET (0.44) ALDH1A1LMNAMEN1KMT2AFSCN1
SCHEMBL22479529 0.83 MET (0.40) ALDH1A1MEN1KMT2AMAPTP4HTM
SCHEMBL21395186 0.83 SMN1; SMN2 (0.46) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL29357522 0.82 ALDH1A1 (0.44) ALDH1A1LMNAMEN1KMT2AFSCN1
SCHEMBL21394874 0.82 ALDH1A1 (0.44) ALDH1A1LMNAMEN1KMT2AFSCN1
SCHEMBL21394825 0.82 ALDH1A1 (0.48) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL29356860 0.82 ALDH1A1 (0.48) ALDH1A1LMNAMEN1KMT2AMAPT

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