SCHEMBL4564235

SCHEMBL4564235

CC1NCc2cc(C(=O)O)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 6/20 0.41
MAPT P10636 4/20 0.41
SRD5A2 P31213 4/20 0.39
SRD5A1 P18405 3/20 0.39
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
ENPP2 Q13822 1/20 0.38
POLB P06746 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP2 O95551 1/20 0.36
GAA P10253 2/20 0.36
NR4A1 P22736 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA6 P23280 2/20 0.36
CA7 P43166 2/20 0.36

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
SCHEMBL28242100 0.84 MAOA (0.53) TDP1ALDH1A1KDM4EMAPTSRD5A2
SCHEMBL31233564 0.78 SRD5A2 (0.47) ALDH1A1KDM4EMAPTSRD5A2SRD5A1
SCHEMBL29238410 0.76 ALDH1A1 (0.40) TDP1ALDH1A1KDM4EMAPTSRD5A2
SCHEMBL4564236 0.76 OPRM1 (0.37) ALDH1A1KDM4EMAPTSMN1; SMN2TP53
SCHEMBL9757529 0.73 CHRNB2 (0.50) ALDH1A1HSD17B10CYP2C19
Trifluoroacetic Acid SCHEMBL384702 0.73 KDM1A (0.38) TDP1ALDH1A1KDM4EPOLBKDM1A
SCHEMBL13460942 0.73 CHRNB2 (0.39) KDM4EHSD17B10TSHR
SCHEMBL6671284 0.72 PNMT (0.56) KDM1A
SCHEMBL20526162 0.72 HTR2C (0.41) KDM4ESRD5A1HSD17B10CA1CA2
SCHEMBL29396876 0.72 PNMT (0.56) KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108570059-A A kind of compound and its preparation and application with PRMT5 inhibitory activity 中国科学院上海药物研究所 2018-09-25 CN disclosed
EP-2132193-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS Boehringer Ingelheim International GmbH (DE) 2009-12-16 EP disclosed
WO-2008116881-A1 SUBSTITUTED PYRROLIDINE AMIDES, THE PRODUCTION THEREOF, AND THE USE THEREOF AS MEDICATIONS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-02 WO disclosed