SCHEMBL7672580

SCHEMBL7672580

O=c1c(Cc2cccnc2)cn2c3c(cc(OCc4cccnc4)cc13)Sc1cc(Br)ccc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HIF1A Q16665 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRM2 Q14416 1/20 0.33
LRRK2 Q5S007 3/20 0.33
CGAS Q8N884 3/20 0.33
PRKDC P78527 3/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
MAOA P21397 1/20 0.32
DYRK1A Q13627 1/20 0.32

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
SCHEMBL7662129 0.93 PKM (0.36) PKMALDH1A1HIF1AMAPTNPSR1
SCHEMBL7669195 0.91 GABRA1 (0.37) PKMALDH1A1MAPTLRRK2FPR1
SCHEMBL7674409 0.90 PLA2G7 (0.32) PKMFPR1FPR2MEN1CYP1A2
SCHEMBL7669032 0.90 LRRK2 (0.35) PKMALDH1A1HIF1AMAPTNPSR1
SCHEMBL7674978 0.90 ALDH1A1 (0.35) PKMALDH1A1HIF1AMAPTNPSR1
SCHEMBL7668797 0.89 ALDH1A1 (0.34) PKMALDH1A1HIF1AMAPTNPSR1
SCHEMBL7668342 0.89 PKM (0.34) PKMALDH1A1HIF1AMAPTNPSR1
SCHEMBL7666632 0.88 ADAM17 (0.35) PKMALDH1A1HIF1AMAPTNPSR1
SCHEMBL7672495 0.88 FPR1 (0.35) PKMALDH1A1HIF1AMAPTNPSR1
SCHEMBL7674095 0.88 MEN1 (0.30) PKMMEN1CYP1A2CYP3A4CYP2D6

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