SCHEMBL19954734

SCHEMBL19954734

C=C/C=C(\C)Nc1cccc2c(C)cccc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2A6 P11509 2/20 0.42
▸ ALDH1A1 P00352 7/20 0.38
▸ HPGD P15428 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ PARP1 P09874 1/20 0.35
▸ TRPV1 Q8NER1 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL24653597 0.83 HPGD (0.53) ALDH1A1HPGDKDM4EMAPTMAPK1
SCHEMBL24766141 0.82 KMT2A (0.55) CYP1A2ALDH1A1HPGDKMT2AMEN1
SCHEMBL19954735 0.77 MEN1 (0.35) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL24004505 0.75 RXFP1 (0.36) ALDH1A1HPGDKMT2AMEN1KDM4E
SCHEMBL8923243 0.74 ALDH1A1 (0.66) CYP1A2CYP2A6ALDH1A1HPGDKMT2A
SCHEMBL19954736 0.74 HPGD (0.34) CYP1A2CYP2A6ALDH1A1HPGDKMT2A
SCHEMBL13588221 0.73 NPC1 (0.52) CYP1A2CYP2A6ALDH1A1HPGDKMT2A
SCHEMBL20021059 0.73 GAA (0.59) HPGDKMT2AMEN1KDM4EMAPT
SCHEMBL24611544 0.72 HPGD (0.49) ALDH1A1HPGDKDM4EMAPTMAPK1
SCHEMBL21431577 0.72 KMT2A (0.51) CYP1A2ALDH1A1HPGDKMT2AMEN1

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-9917273-B2 Cross-linking polymer and organic electroluminescent element using same IDEMITSU KOSAN CO., LTD. (JP) 2018-03-13 — — US disclosed
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