SCHEMBL7784188

SCHEMBL7784188

Oc1cc2ccccc2c2c1Cc1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM4 Q8TD43 1/20 0.44
ALOX5 P09917 2/20 0.41
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA4 P22748 6/20 0.40
CA6 P23280 6/20 0.40
NQO2 P16083 1/20 0.39
ACHE P22303 3/20 0.39
BCHE P06276 1/20 0.39
HTR1A P08908 1/20 0.38
HTR7 P34969 1/20 0.38
PNMT P11086 1/20 0.37
MAP3K9 P80192 1/20 0.36
MAP3K11 Q16584 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL11145048 0.88 MAOA (0.44) TRPM4ACHEBCHEKDM4EMEN1
SCHEMBL7742186 0.86 MAOA (0.43) TRPM4ACHEBCHEKDM4EMEN1
SCHEMBL10102234 0.85 DRD2 (0.43) TRPM4ALOX5NQO2ACHEBCHE
SCHEMBL7789933 0.80 ALDH1A1 (0.46) ALOX5CA1CA2CA4CA6
SCHEMBL4714268 0.78 SOS1 (0.49) KDM4EMEN1KMT2ACYP2D6CYP2C9
SCHEMBL26634709 0.78 MAP3K9 (0.39) ALOX5CA1CA2CA4CA6
SCHEMBL31277199 0.78 MAP3K9 (0.39) ALOX5CA1CA2CA4CA6
SCHEMBL7789620 0.78 MEN1 (0.45) ALOX5CA1CA2CA4CA6
Fluorene SCHEMBL28192829 0.76 TRPM4 (0.68) TRPM4NQO2KDM4EMEN1MAPT
SCHEMBL6209936 0.75 ALOX5 (0.40) ALOX5CA1CA2CA4CA6

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-1042312-B1 PHOTOCHROMIC INDENO-FUSED NAPHTHO[2,1-b]PYRANS TRANSITIONS OPTICAL INC (US) 2001-11-07 EP disclosed