SCHEMBL20041687

SCHEMBL20041687

Cc1ccc(-c2ccc(-c3ccc4c(c3)n3c5ccccc5nc3n4C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
HPGD P15428 3/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
TP53 P04637 5/20 0.45
MAPT P10636 4/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
PKM P14618 2/20 0.44
HSD17B10 Q99714 2/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL20041551 0.94 MEN1 (0.46) THRBHPGDKMT2AMEN1KDM4E
SCHEMBL20041689 0.92 MEN1 (0.44) HPGDPOLBKMT2AMEN1KDM4E
SCHEMBL17507390 0.92 MEN1 (0.44) HPGDPOLBKMT2AMEN1KDM4E
SCHEMBL20041428 0.91 MAPT (0.50) THRBHPGDKMT2AMEN1KDM4E
SCHEMBL20041554 0.90 MEN1 (0.43) THRBHPGDKMT2AMEN1KDM4E
SCHEMBL20041691 0.89 MAPT (0.51) THRBHPGDKMT2AMEN1KDM4E
SCHEMBL20041528 0.89 MEN1 (0.44) THRBHPGDKMT2AMEN1KDM4E
SCHEMBL20041525 0.89 MEN1 (0.44) THRBHPGDKMT2AMEN1KDM4E
SCHEMBL16920049 0.88 KMT2A (0.47) THRBHPGDKMT2AMEN1TP53
SCHEMBL20041455 0.88 MAPT (0.50) THRBHPGDKMT2AMEN1KDM4E

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-2982676-B1 Benzimidazo[2,1-B]benzoxazoles for electronic applications IDEMITSU KOSAN CO (JP) 2018-04-11 EP disclosed