SCHEMBL2765033

SCHEMBL2765033

COc1cc(C(=O)Nc2nc(CN3CCCN(Cc4csc(NC(=O)c5cc(OC)c(OC)c(OC)c5)n4)CC3)cs2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.56
TSHR P16473 2/20 0.56
MAPT P10636 4/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
USP2 O75604 1/20 0.53
F2 P00734 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
MAPK1 P28482 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SLC29A1 Q99808 1/20 0.52
BRD4 O60885 2/20 0.50
RAB9A P51151 1/20 0.50
ACKR3 P25106 2/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL2764119 0.97 HPGD (0.59) HPGDTSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL2763686 0.82 HPGD (0.65) HPGDTSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL2766185 0.81 HPGD (0.64) HPGDTSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL2765186 0.76 HTR7 (0.57) ALDH1A1KDM4EACKR3
SCHEMBL25824767 0.75 KDM4E (0.59) SMN1; SMN2ALDH1A1KDM4ELMNAGAA
SCHEMBL2764114 0.74 KDM4E (0.43) TSHRSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL2764501 0.74 HPGD (0.73) HPGDTSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL17107224 0.74 SMN1; SMN2 (0.71) HPGDTSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL17270222 0.73 ACKR3 (0.70) HPGDTSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL2766572 0.72 HTR7 (0.61) HPGDALDH1A1KDM4EACKR3GAA

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
EP-1400515-B1 CYCLIC DIAMINE COMPOUND HAVING FIVE-MEMBERED CYCLIC GROUP KOWA CO (JP) 2010-04-14 EP disclosed
EP-1400515-A1 CYCLIC DIAMINE COMPOUND HAVING FIVE-MEMBERED CYCLIC GROUP Kowa Co., Ltd. (JP) 2004-03-24 EP disclosed
US-6472386-B1 Cyclic diamine compound with 5-membered ring groups KOWA CO., LTD. (JP) 2002-10-29 US disclosed