SCHEMBL7319418

SCHEMBL7319418

CC(C(N)=O)=C(C)c1ncn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
KCNN4 O15554 3/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
PKM P14618 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
KAT2B Q92831 1/20 0.31
SCD O00767 1/20 0.30

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
SCHEMBL923644 0.83 LMNA (0.37) LMNAALDH1A1MAPTKMT2ANR1H2
SCHEMBL7467650 0.75 TP53 (0.48) LMNAALDH1A1MAPTKDM4E
SCHEMBL4580271 0.73 KDM4E (0.33) LMNAMAPTKMT2AKDM4EPKM
SCHEMBL1423435 0.71 CDC25B (0.47) ALDH1A1MAPTKMT2A
SCHEMBL30946792 0.70 LTC4S (0.36) ALDH1A1KMT2ASCD
SCHEMBL27284826 0.70 LTC4S (0.36) ALDH1A1KMT2ASCD
SCHEMBL10439558 0.70 CYP1A2 (0.44) LMNAALDH1A1MAPTKMT2AKCNN4
SCHEMBL7310245 0.70 CYP11B1 (0.34) ALDH1A1KMT2AKDM4E
SCHEMBL9585649 0.70 TAAR1 (0.35)
SCHEMBL6743058 0.68 CYP11B1 (0.33) ALDH1A1KMT2A

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
EP-0242973-B1 INDOLE DERIVATIVES, METHOD FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLAXO GROUP LIMITED (GB) 1991-07-17 EP disclosed