SCHEMBL15024943

SCHEMBL15024943

CCCCCC(CCCCC)CCn1c2cc(-c3cc4sc(-c5ccc(-c6ccc(-c7cccs7)s6)s5)cc4s3)ccc2c2c3ccc(-c4cc5sc(-c6ccc(-c7ccc(-c8cccs8)s7)s6)cc5s4)cc3n(C)c21

nearest known ligand 0.30

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 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
SCHEMBL19074285 0.93 — —
SCHEMBL15024749 0.83 ALDH1A1 (0.40) KDM4EALDH1A1CNR1CNR2
SCHEMBL15024949 0.68 ALDH1A1 (0.40) KDM4EALDH1A1CNR1CNR2
SCHEMBL9976726 0.67 KDM4E (0.43) KDM4EALDH1A1CNR1CNR2
SCHEMBL20402189 0.67 ALDH1A1 (0.37) KDM4EALDH1A1CNR1CNR2
SCHEMBL19598960 0.66 DPP4 (0.33) KDM4EALDH1A1
SCHEMBL28557406 0.66 CNR2 (0.40) KDM4EALDH1A1CNR1CNR2
SCHEMBL15024908 0.65 ALDH1A1 (0.35) KDM4EALDH1A1
SCHEMBL20987458 0.64 CNR2 (0.45) KDM4EALDH1A1CNR1CNR2
SCHEMBL14757427 0.64 DPP4 (0.30) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8766248-B2 Nitrogen-containing aromatic compound, organic semiconductor material, and organic electronic device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-07-01 — — US disclosed
US-8766248-B2 Nitrogen-containing aromatic compound, organic semiconductor material, and organic electronic device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-07-01 — — US disclosed
EP-2617724-A1 NITROGENATED AROMATIC COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC ELECTRONIC DEVICE Nippon Steel & Sumikin Chemical Co., Ltd. (JP) 2013-07-24 — — EP disclosed
US-20130150576-A1 NITROGEN-CONTAINING AROMATIC COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC ELECTRONIC DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2013-06-13 — — US disclosed
US-20130150576-A1 NITROGEN-CONTAINING AROMATIC COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL, AND ORGANIC ELECTRONIC DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2013-06-13 — — US disclosed
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