SCHEMBL9705969

SCHEMBL9705969

BrCCCCc1cccnc1-c1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.41
▸ LMNA P02545 3/20 0.41
▸ CCR1 P32246 2/20 0.41
▸ CCR5 P51681 2/20 0.41
▸ CCR8 P51685 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ METAP1 P53582 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ DOHH Q9BU89 1/20 0.41
▸ P4HTM Q9NXG6 1/20 0.41
▸ TP53 P04637 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ NPC1 O15118 6/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ ALOX15 P16050 4/20 0.36
▸ L3MBTL1 Q9Y468 4/20 0.36
▸ HTT P42858 3/20 0.36

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
SCHEMBL7741609 0.83 LIPG (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27863202 0.83 LIPG (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL7207311 0.83 LIPG (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27742366 0.83 LIPG (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL2410544 0.83 LIPG (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL5138400 0.83 LIPG (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL8858058 0.83 CYP1A2 (0.45) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4475658 0.83 LIPG (0.46) KDM4ELMNACCR1CCR5CCR8
SCHEMBL14722433 0.82 CYP1A2 (0.47) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29542978 0.82 CYP1A2 (0.47) KDM4ELMNACCR1CCR5CCR8

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
WO-1992012254-A1 ENZYME ELECTRODES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1992-07-23 — — WO disclosed
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