SCHEMBL20932207

SCHEMBL20932207

Cc1cccc(C(C)CN2CCOCC2)c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.53
KMT2A Q03164 3/20 0.52
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GFER P55789 1/20 0.48
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL4060240 0.84 ALDH1A1 (0.47) L3MBTL1KMT2AKDM4EALDH1A1GFER
SCHEMBL4061177 0.84 L3MBTL1 (0.47) L3MBTL1KMT2AKDM4EALDH1A1GFER
SCHEMBL16572388 0.82 ALDH1A1 (0.68) L3MBTL1KMT2AKDM4EALDH1A1GFER
SCHEMBL5510459 0.82 ALDH1A1 (0.68) L3MBTL1KMT2AKDM4EALDH1A1GFER
SCHEMBL22299557 0.81 KMT2A (0.49) L3MBTL1KMT2AMEN1
Hydrochloric Acid SCHEMBL11176717 0.79 ALDH1A1 (0.49) L3MBTL1KMT2AKDM4EALDH1A1GFER
SCHEMBL22299266 0.78 KMT2A (0.49) L3MBTL1KMT2AMEN1
SCHEMBL11192385 0.77 ABCB1 (0.58) L3MBTL1KDM4EALDH1A1HSD17B10SMN1; SMN2
SCHEMBL8251470 0.76 CYP2D6 (0.47) L3MBTL1KMT2AKDM4EALDH1A1TSHR
SCHEMBL18889194 0.76 CYP2D6 (0.47) L3MBTL1KMT2AKDM4EALDH1A1TSHR

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
EP-3699179-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu Hansoh Pharmaceutical Group Co., Ltd. (CN) 2020-08-26 EP disclosed
WO-2019076336-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏豪森药业集团有限公司 2019-04-25 WO disclosed