SCHEMBL9628474

SCHEMBL9628474

CC(C)(C)C1CCC(NCc2cc(Br)cc(Br)c2O)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 4/20 0.52
▸ CYP1A2 P05177 3/20 0.52
▸ HIF1A Q16665 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ GBA1 P04062 1/20 0.52
▸ CNR1 P21554 1/20 0.52
▸ TBXA2R P21731 1/20 0.52
▸ HRH2 P25021 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ TSHR P16473 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ CYP2C19 P33261 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ MEN1 O00255 8/20 0.42
▸ KMT2A Q03164 8/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 3/20 0.42

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
Dembrexine SCHEMBL9247816 0.84 CYP2D6 (0.72) CYP2D6CYP1A2HIF1ALMNAGBA1
Dembrexine SCHEMBL1815355 0.84 CYP2D6 (0.72) CYP2D6CYP1A2HIF1ALMNAGBA1
Dembrexine SCHEMBL9247402 0.83 CYP3A4 (0.72) CYP2D6CYP1A2HIF1ALMNAGBA1
Dembrexine SCHEMBL10426104 0.83 CYP3A4 (0.72) CYP2D6CYP1A2HIF1ALMNAGBA1
SCHEMBL11846315 0.82 PABPC1 (0.58) CYP2D6CYP1A2HIF1ALMNAGBA1
Hydrochloric Acid SCHEMBL10426211 0.81 PABPC1 (0.57) CYP2D6CYP1A2HIF1ALMNAGBA1
SCHEMBL11592566 0.74 CYP2D6 (0.51) CYP2D6CYP1A2HIF1ALMNAGBA1
SCHEMBL11592561 0.74 CYP2D6 (0.51) CYP2D6CYP1A2HIF1ALMNAGBA1
SCHEMBL11592569 0.74 CYP2D6 (0.51) CYP2D6CYP1A2HIF1ALMNAGBA1
SCHEMBL11591624 0.72 MEN1 (0.50) CYP2D6CYP1A2HIF1ALMNATSHR

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-0346733-B1 AMINOMETHYL PHENOLS AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1992-04-15 — — EP claimed
EP-0346733-B1 AMINOMETHYL PHENOLS AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1992-04-15 — — EP disclosed
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