SCHEMBL7914879

SCHEMBL7914879

COc1cc2c(Nc3ccccc3)nnc(-c3ccccc3)c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.53
KDR P35968 2/20 0.53
RET P07949 1/20 0.53
NPSR1 Q6W5P4 2/20 0.52
MAPT P10636 4/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
LCK P06239 1/20 0.52
PDE5A O76074 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
ALOX15 P16050 1/20 0.52
CYP2C19 P33261 1/20 0.52
PDE1A P54750 1/20 0.52
PDE1B Q01064 1/20 0.52
PDE3B Q13370 1/20 0.52
PDE1C Q14123 1/20 0.52

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
SCHEMBL7915059 0.92 NPSR1 (0.52) EGFRKDRRETNPSR1MAPT
SCHEMBL7912095 0.92 MAPT (0.62) EGFRKDRRETNPSR1MAPT
SCHEMBL7914903 0.91 ABCG2 (0.53) EGFRKDRRETNPSR1MAPT
SCHEMBL7913392 0.86 ABCG2 (0.58) EGFRKDRMAPTKDM4EALDH1A1
SCHEMBL7912315 0.84 NPSR1 (0.56) KDRNPSR1MAPTKDM4EALDH1A1
SCHEMBL7914641 0.82 MAPT (0.64) KDRNPSR1MAPTKDM4EALDH1A1
SCHEMBL7918597 0.82 RXFP1 (0.57) EGFRKDRNPSR1MAPTKDM4E
SCHEMBL7918598 0.82 EGFR (0.47) EGFRKDRRETNPSR1MAPT
SCHEMBL7913393 0.82 EGFR (0.47) EGFRKDRRETMAPTLCK
SCHEMBL7914883 0.81 MAPT (0.62) KDRNPSR1MAPTKDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6207666-B1 TREATING PRECANCEROUS LESIONS BY ADMINISTERING 4-PHENYLPHTHALAZINE DERIVATIVE CELL PATHWAYS, INC. 2001-03-27 US disclosed