SCHEMBL7674880

SCHEMBL7674880

COc1cccc(C[O])c1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
IDO1 P14902 3/20 0.41
TAAR1 Q96RJ0 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CHRM2 P08172 4/20 0.40
CHRM1 P11229 1/20 0.40
GRIN1 Q05586 3/20 0.40
GRIN2A Q12879 3/20 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
SCHEMBL12806081 0.86 GABRA1 (0.64) GABRA1GABRB2MEN1KMT2AIDO1
SCHEMBL31200741 0.86 GABRA1 (0.64) GABRA1GABRB2MEN1KMT2AIDO1
SCHEMBL9211153 0.82 IDO1 (0.42) GABRA1GABRB2MEN1KMT2AIDO1
SCHEMBL7674886 0.80 PDE4A (0.44) GABRA1GABRB2MEN1KMT2AIDO1
SCHEMBL31614197 0.80 IDO1 (0.41) GABRA1GABRB2MEN1KMT2AIDO1
SCHEMBL27761667 0.80 TAAR1 (0.50) GABRA1GABRB2MEN1KMT2AIDO1
SCHEMBL83159 0.79 IDO1 (0.57) IDO1TAAR1KDM4EALDH1A1CA12
SCHEMBL29071153 0.78 HSD17B10 (0.50) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2
SCHEMBL1501174 0.78 CA1 (0.58) KDM4EALDH1A1SMN1; SMN2CA12CA1
SCHEMBL95872 0.78 CA12 (0.53) MEN1KMT2AKDM4EALDH1A1SMN1; SMN2

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
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed