SCHEMBL20248372

SCHEMBL20248372

c1ccc2c(c1)Cc1cc(N(c3ccc(-c4cccc5c4sc4ccccc45)cc3)c3ccc(-c4cccc5c4sc4ccccc45)cc3)ccc1-2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 1/20 0.48
▸ CYP1A2 P05177 3/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ PRKDC P78527 5/20 0.37
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PARP14 Q460N5 1/20 0.35
▸ HIF1A Q16665 1/20 0.34
▸ MAP3K9 P80192 2/20 0.33
▸ MAP3K11 Q16584 2/20 0.33

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
SCHEMBL16133396 0.97 ALOX5 (0.45) ALOX5CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL21791717 0.97 ALOX5 (0.45) ALOX5CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24647539 0.90 ALOX5 (0.40) ALOX5CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18179402 0.88 ALOX5 (0.41) ALOX5CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL25608983 0.88 ALOX5 (0.40) ALOX5CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19543755 0.86 ALOX5 (0.39) ALOX5CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL74719 0.84 ALOX5 (0.59) ALOX5PRKDCRAB9AALDH1A1MAPT
SCHEMBL20248370 0.84 CYP1A2 (0.39) ALOX5CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17370055 0.84 ALOX5 (0.44) ALOX5PRKDCPARP14MAP3K9MAP3K11
SCHEMBL22403466 0.84 CYP1A2 (0.34) ALOX5CYP1A2CYP3A4CYP2D6CYP2C9

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
US-20180166632-A1 HIGH MOLECULAR COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-06-14 — — US disclosed
US-20180166632-A1 HIGH MOLECULAR COMPOUND, ORGANIC ELECTROLUMINESCENCE ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2018-06-14 — — US disclosed
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