SCHEMBL7914929

SCHEMBL7914929

CCCCc1cc2c(Nc3ccccc3)nnc(-c3ccccc3)c2cc1CCCC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
PDE3B Q13370 2/20 0.48
PDE3A Q14432 2/20 0.48
PDE5A O76074 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
CYP2C19 P33261 1/20 0.48
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE1C Q14123 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPSR1 Q6W5P4 5/20 0.48
THRB P10828 1/20 0.44

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
SCHEMBL7918598 0.82 EGFR (0.47) MAPTALDH1A1KDM4ESMN1; SMN2PDE3B
SCHEMBL7914861 0.81 MAPT (0.60) MAPTALDH1A1KDM4ESMN1; SMN2PDE3B
SCHEMBL7914864 0.80 NPSR1 (0.61) MAPTALDH1A1KDM4ESMN1; SMN2PDE3B
SCHEMBL7915171 0.80 NPSR1 (0.61) MAPTALDH1A1KDM4ESMN1; SMN2PDE3B
SCHEMBL7912315 0.79 NPSR1 (0.56) MAPTALDH1A1KDM4ESMN1; SMN2PDE3B
SCHEMBL7904933 0.76 MAPT (0.63) MAPTALDH1A1KDM4ESMN1; SMN2PDE3B
SCHEMBL7914879 0.76 EGFR (0.53) MAPTALDH1A1KDM4ESMN1; SMN2PDE3B
SCHEMBL7905054 0.74 NPSR1 (0.57) MAPTALDH1A1KDM4ESMN1; SMN2PDE3B
SCHEMBL7913363 0.74 NPSR1 (0.57) MAPTALDH1A1KDM4ESMN1; SMN2PDE3B
SCHEMBL8021598 0.74 NPSR1 (0.79) MAPTALDH1A1KDM4ESMN1; SMN2PDE3B

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