SCHEMBL23673237

SCHEMBL23673237

Cc1ccc2c(Br)cc(Br)[c]c2n1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.35
RAB9A P51151 1/20 0.35
CCR5 P51681 1/20 0.35
MAPT P10636 1/20 0.32
KMT2A Q03164 2/20 0.31
OPRK1 P41145 1/20 0.31
CYP1A2 P05177 1/20 0.31
GAA P10253 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
SCHEMBL11212949 0.68 KDM4E (0.44) CCR1RAB9ACCR5MAPTKMT2A
SCHEMBL1090992 0.67 MAPT (0.46) CCR1RAB9ACCR5MAPTKMT2A
SCHEMBL31191929 0.65 CCR1 (0.60) CCR1RAB9ACCR5MAPTKMT2A
SCHEMBL4586663 0.65 CCR1 (0.60) CCR1RAB9ACCR5MAPTKMT2A
SCHEMBL26130986 0.65 CCR1 (0.60) CCR1RAB9ACCR5MAPTKMT2A
SCHEMBL15635331 0.65 NQO2 (0.44) CCR1RAB9ACCR5CYP1A2
SCHEMBL460366 0.63 CCR1 (0.44) CCR1RAB9ACCR5MAPTKMT2A
Broquinaldol SCHEMBL2110667 0.63 MAPT (0.54) CCR1RAB9ACCR5MAPTKMT2A
Broquinaldol SCHEMBL29606314 0.63 MAPT (0.54) CCR1RAB9ACCR5MAPTKMT2A
SCHEMBL25156298 0.62 NPSR1 (0.44) RAB9AKMT2A

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
US-20210231661-A1 ANTI-CANCER TREATMENT OF PRESELECTED SUBJECTS AND SCREENING METHODS TO IDENTIFY SUSCEPTIBLE SUBJECTS TUDAG TU DRESDEN AKTIENGESELLSCHAFT (DE) 2021-07-29 US disclosed