SCHEMBL13753201

SCHEMBL13753201

CCCCC(=O)Nc1cccc(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.72
EPHX1 P07099 3/20 0.63
KDM4E B2RXH2 1/20 0.63
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 2/20 0.59
KMT2A Q03164 2/20 0.59
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
LMNA P02545 1/20 0.57
MAPT P10636 1/20 0.57
HTT P42858 1/20 0.57

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
SCHEMBL8278749 0.90 F2R (0.65) EPHX2EPHX1MEN1ALDH1A1KMT2A
SCHEMBL10969527 0.89 KDM4E (0.72) KDM4EMEN1ALDH1A1KMT2ACYP1A2
SCHEMBL28029453 0.85 EPHX2 (0.57) EPHX2EPHX1KDM4EMEN1ALDH1A1
SCHEMBL1066525 0.85 EPHX2 (1.00) EPHX2EPHX1MEN1KMT2AMAPT
SCHEMBL7825915 0.84 MEN1 (0.68) EPHX2MEN1ALDH1A1KMT2ALMNA
SCHEMBL1080094 0.84 EGFR (0.64) EPHX2MEN1ALDH1A1KMT2ALMNA
SCHEMBL5445787 0.84 ALDH1A1 (0.72) EPHX2EPHX1ALDH1A1CYP1A2CYP3A4
SCHEMBL4126168 0.83 RAB9A (0.67) MEN1ALDH1A1KMT2ACYP3A4LMNA
SCHEMBL11901010 0.83 LMNA (0.69) EPHX2KDM4EMEN1ALDH1A1KMT2A
SCHEMBL15480411 0.83 HDAC1 (0.69) EPHX2KDM4EMEN1ALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021104506-A1 CYCLIC SULFONE COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 中国医学科学院药物研究所 2021-06-03 WO disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed