SCHEMBL31112260

SCHEMBL31112260

CNc1ccccc1CBr

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ AR P10275 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.38
▸ ATP4A P20648 1/20 0.37
▸ ATP4B P51164 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ TACR1 P25103 1/20 0.36
▸ EGFR P00533 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ MAPK1 P28482 1/20 0.35

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
SCHEMBL11087165 0.82 TDP1 (0.40) L3MBTL1KDM4EPOLBMAPTTDP1
SCHEMBL1682034 0.78 ALDH1A1 (0.50) L3MBTL1KDM4EPOLBMAPTTDP1
SCHEMBL932125 0.77 TDP1 (0.40) L3MBTL1KDM4EPOLBMAPTTDP1
SCHEMBL16256389 0.77 GABRA1 (0.48) L3MBTL1KDM4EPOLBMAPTTDP1
SCHEMBL10699803 0.77 AR (0.43) POLBMAPTALDH1A1USP2RECQL
SCHEMBL24673909 0.76 CA12 (0.39) L3MBTL1MAPTALDH1A1HPGDTSHR
SCHEMBL2536107 0.76 L3MBTL1 (0.43) L3MBTL1KDM4EPOLBMAPTTDP1
Hydrochloric Acid SCHEMBL2860880 0.76 ALDH1A1 (0.48) L3MBTL1KDM4EPOLBMAPTTDP1
SCHEMBL11295500 0.76 IFNAR1 (0.46) L3MBTL1KDM4EPOLBMAPTTDP1
SCHEMBL22535153 0.76 L3MBTL1 (0.43) L3MBTL1KDM4EPOLBMAPTTDP1

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
CN-118791436-A 2-Aminopyrimidine derivative and preparation method and application thereof 中国科学院上海药物研究所 2024-10-18 — — CN disclosed
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