SCHEMBL7918607

SCHEMBL7918607

CCCCc1ccc(Nc2nnc(-c3ccc(C)cc3)c3cc(C)c(C)cc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.51
TP53 P04637 4/20 0.45
THRB P10828 3/20 0.45
ENPP3 O14638 2/20 0.45
KDR P35968 1/20 0.45
MAPT P10636 5/20 0.41
HTT P42858 4/20 0.41
HPGD P15428 4/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CASP3 P42574 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL7913341 0.87 NPSR1 (0.67) NPSR1TP53THRBENPP3KDR
SCHEMBL7912137 0.80 NPSR1 (0.56) NPSR1TP53THRBENPP3KDR
SCHEMBL7915171 0.78 NPSR1 (0.61) NPSR1THRBENPP3KDRMAPT
SCHEMBL7914864 0.78 NPSR1 (0.61) NPSR1THRBENPP3KDRMAPT
SCHEMBL7904915 0.76 RXFP1 (0.57) NPSR1TP53THRBKDRMAPT
SCHEMBL7918550 0.76 THRB (0.58) NPSR1TP53THRBENPP3KDR
SCHEMBL7913368 0.75 MAPT (0.68) NPSR1TP53THRBENPP3KDR
SCHEMBL7914929 0.73 MAPT (0.48) NPSR1TP53THRBENPP3MAPT
SCHEMBL1033861 0.73 HPGD (0.53) NPSR1TP53MAPTHTTHPGD
SCHEMBL7912167 0.72 MAPT (0.63) NPSR1TP53THRBENPP3KDR

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