SCHEMBL21532674

SCHEMBL21532674

NC1=CC=CC(c2ccccc2)N1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ MAOA P21397 6/20 0.30
▸ MAOB P27338 6/20 0.30
▸ KDM1A O60341 4/20 0.30
▸ CYP2C19 P33261 4/20 0.30
▸ CYP2B6 P20813 3/20 0.30
▸ CYP1A2 P05177 2/20 0.30
▸ CYP2D6 P10635 2/20 0.30
▸ CYP2C9 P11712 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ HTR1A P08908 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
SCHEMBL22084952 0.79 CHRNB2 (0.45) KDM4ERAB9ACYP2C19CYP1A2CYP2D6
SCHEMBL23895438 0.76 ALDH1A1 (0.44) ALDH1A1HPGDRXFP1KDM4EPKM
SCHEMBL20733895 0.74 P2RX7 (0.33) ALDH1A1HPGDRXFP1KDM4EHSD17B10
SCHEMBL24503992 0.64 ALDH1A1 (0.38) ALDH1A1HPGDNOS2RXFP1KDM4E
SCHEMBL9063335 0.64 ALDH1A1 (0.32) ALDH1A1HPGDRXFP1
SCHEMBL4616925 0.63 TNKS2 (0.37) ALDH1A1HPGDRXFP1KDM4ECYP1A2
SCHEMBL29777356 0.61 ALDH1A1 (0.31) ALDH1A1HPGDRXFP1
SCHEMBL1594455 0.60 TNKS2 (0.35) ALDH1A1HPGDRXFP1KDM4ECYP1A2
SCHEMBL5437597 0.60 MAOB (0.34) MAOAMAOBKDM1ACYP2C19CYP2B6
SCHEMBL23587161 0.59 MAOB (0.33) KDM4ERAB9AMAOAMAOBKDM1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3693372-A1 BENZOFURO[3',2':4,5]IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AND RELATED COMPOUNDS FOR USE IN ORGANIC LIGHT-EMITTING DEVICES (OLEDS) Samsung Display Co., Ltd. (KR) 2020-08-12 — — EP disclosed
EP-3561894-A1 DIAMINE COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Display Co., Ltd. (KR) 2019-10-30 — — EP disclosed
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