SCHEMBL7668181

SCHEMBL7668181

O=c1c(Cc2cccnc2)cn2c3c(cc(OCc4cccnc4)cc13)Nc1cc(Br)ccc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
SNRNP200 O75643 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR1A P08908 2/20 0.33
DRD2 P14416 2/20 0.33
GRM2 Q14416 1/20 0.33
KCNA5 P22460 1/20 0.33
KCNJ5 P48544 1/20 0.33

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
SCHEMBL7672566 0.93 BRD4 (0.37) PKMALDH1A1MAPTHIF1ANPSR1
SCHEMBL7665153 0.90 KCNA5 (0.35) PKMMEN1KMT2ACYP1A2CYP3A4
SCHEMBL7672401 0.89 MEN1 (0.31) PKMSNRNP200MEN1KMT2ACYP1A2
SCHEMBL7663981 0.87 LTA4H (0.45) DRD2KCNA5KCNJ5KCNJ3DYRK1A
SCHEMBL7672395 0.85 PTK2 (0.32) KCNA5KCNJ5KCNJ3
SCHEMBL7673339 0.84 MEN1 (0.31) PKMSNRNP200MEN1KMT2ACYP1A2
SCHEMBL7669021 0.84 KCNA5 (0.33) PKMMAPTMEN1KMT2ACYP1A2
SCHEMBL7672580 0.83 PKM (0.36) PKMALDH1A1MAPTHIF1ANPSR1
SCHEMBL7667021 0.83 ALDH1A1 (0.39) PKMALDH1A1MAPTHIF1ANPSR1
SCHEMBL7668793 0.83 HIF1A (0.39) PKMALDH1A1MAPTHIF1ANPSR1

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