SCHEMBL27536780

SCHEMBL27536780

COc1ccc(Br)cc1C(=O)NC1CCCCC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.68
RAB9A P51151 3/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
KDM1A O60341 2/20 0.62
HPGD P15428 1/20 0.58
MAPT P10636 2/20 0.56
ALOX12 P18054 1/20 0.56
NPC1 O15118 2/20 0.54
ALPL P05186 1/20 0.54
DRD2 P14416 1/20 0.54
GFER P55789 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL12515312 0.83 ALDH1A1 (0.91) ALDH1A1RAB9AL3MBTL1KDM1AHPGD
SCHEMBL28797466 0.82 ALDH1A1 (0.59) ALDH1A1RAB9AL3MBTL1KDM1AHPGD
SCHEMBL19445756 0.81 ALDH1A1 (0.81) ALDH1A1RAB9AL3MBTL1KDM1AHPGD
SCHEMBL20944746 0.81 ALDH1A1 (0.76) ALDH1A1RAB9AL3MBTL1KDM1AHPGD
SCHEMBL20944758 0.81 ALDH1A1 (0.76) ALDH1A1RAB9AL3MBTL1KDM1AHPGD
SCHEMBL20944749 0.81 ALDH1A1 (0.76) ALDH1A1RAB9AL3MBTL1KDM1AHPGD
SCHEMBL11236668 0.80 RAB9A (0.71) ALDH1A1RAB9AL3MBTL1HPGDMAPT
SCHEMBL506741 0.79 NPC1 (0.57) ALDH1A1RAB9AL3MBTL1KDM1AHPGD
SCHEMBL24163448 0.79 ALDH1A1 (0.74) ALDH1A1RAB9AL3MBTL1KDM1AHPGD
SCHEMBL25492959 0.79 NPC1 (0.60) ALDH1A1RAB9AHPGDMAPTNPC1

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
CN-1264843-C Pyrazolopyrimidinone derivatives having PDE7 inhibitory action DAIICHI SUNTORY PHARMACEUTICAL (JP) 2006-07-19 CN disclosed
CN-1533392-A Pyrazolopgrimidinone derivatives having PED 7 inhibitory activity ��һ��������ҩ��ʽ���� 2004-09-29 CN disclosed