SCHEMBL29643208

SCHEMBL29643208

CCn1c2ccccc2c2cc(C#N)ccc21

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.63
RORC P51449 9/20 0.63
KDM4E B2RXH2 5/20 0.59
MAPT P10636 4/20 0.59
ALDH1A1 P00352 3/20 0.59
HPGD P15428 2/20 0.59
HSD17B10 Q99714 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HTT P42858 2/20 0.59
MAPK1 P28482 2/20 0.59
HBB P68871 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CASP1 P29466 1/20 0.55
LMNA P02545 3/20 0.52
POLB P06746 2/20 0.51
PKM P14618 1/20 0.51

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
SCHEMBL5892136 1.00 PTGER4 (0.63) PTGER4RORCKDM4EMAPTALDH1A1
SCHEMBL21076080 0.92 RORC (0.52) PTGER4RORCKDM4EMAPTALDH1A1
SCHEMBL21599721 0.90 PTGER4 (0.59) PTGER4RORCKDM4EMAPTALDH1A1
SCHEMBL16119985 0.88 ALDH1A1 (0.56) PTGER4RORCKDM4EMAPTALDH1A1
SCHEMBL97588 0.85 PTGER4 (0.54) PTGER4RORC
SCHEMBL17614522 0.85 PTGER4 (0.53) PTGER4RORCKDM4EMAPTALDH1A1
SCHEMBL18010701 0.84 PTGER4 (0.52) PTGER4RORCKDM4EMAPTALDH1A1
SCHEMBL18010711 0.84 PTGER4 (0.52) PTGER4RORCKDM4EMAPTALDH1A1
SCHEMBL1052731 0.84 MAPT (0.59) PTGER4RORCKDM4EMAPTALDH1A1
SCHEMBL1740131 0.84 MAPT (0.59) PTGER4RORCKDM4EMAPTALDH1A1

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
CN-109206360-B Carbazole amide derivative or salt thereof, and preparation method and application thereof 复旦大学 2022-05-17 CN disclosed