SCHEMBL23714059

SCHEMBL23714059

Cc1ccc2c(CCl)ccc(C)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
OPRK1 P41145 1/20 0.46
CCR1 P32246 1/20 0.40
RAB9A P51151 1/20 0.40
CCR5 P51681 1/20 0.40
MAPT P10636 2/20 0.39
PON1 P27169 1/20 0.35
KDM4E B2RXH2 4/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
CTSB P07858 1/20 0.32
CTSH P09668 1/20 0.32
TP53 P04637 1/20 0.32
METAP2 P50579 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL2525228 0.82 KMT2A (0.61) KMT2AOPRK1CCR1RAB9ACCR5
Hydrochloric Acid SCHEMBL11130882 0.81 KMT2A (0.59) KMT2AOPRK1CCR1RAB9ACCR5
Hydrochloric Acid SCHEMBL30894755 0.81 KMT2A (0.59) KMT2AOPRK1CCR1RAB9ACCR5
SCHEMBL6177657 0.78 KMT2A (0.69) KMT2AOPRK1CCR1RAB9ACCR5
SCHEMBL31186674 0.78 KMT2A (0.69) KMT2AOPRK1CCR1RAB9ACCR5
SCHEMBL25097371 0.75 MAPT (0.55) KMT2AOPRK1CCR1RAB9ACCR5
SCHEMBL17506427 0.75 KMT2A (0.50) KMT2AOPRK1CCR1RAB9ACCR5
SCHEMBL15211213 0.71 CCR1 (0.39) KMT2ACCR1RAB9ACCR5MAPT
SCHEMBL11559049 0.71 KMT2A (0.50) KMT2AOPRK1CCR1RAB9ACCR5
SCHEMBL16705096 0.71 KMT2A (0.50) KMT2AOPRK1CCR1RAB9ACCR5

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-20210238415-A1 POLYMER, METAL REMOVAL COMPOSITION, AND METHOD OF REMOVING METAL IONS INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2021-08-05 US disclosed