SCHEMBL24717148

SCHEMBL24717148

O=C(CBr)[C@@H]1CCCC(=O)N1c1ccc(F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
CNR2 P34972 1/20 0.39
BPTF Q12830 1/20 0.38
P2RX7 Q99572 1/20 0.38
CREBBP Q92793 5/20 0.37
EP300 Q09472 2/20 0.37
CCR1 P32246 1/20 0.36
CCR2 P41597 1/20 0.36
KMT2A Q03164 1/20 0.35
HDAC1 Q13547 4/20 0.35
HDAC8 Q9BY41 4/20 0.35
HDAC6 Q9UBN7 4/20 0.35
POLB P06746 1/20 0.35
HDAC5 Q9UQL6 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
SCHEMBL24717149 0.83 TSHR (0.43) TSHRCNR2BPTFP2RX7CREBBP
SCHEMBL24717146 0.80 TSHR (0.40) TSHRCNR2BPTFP2RX7CREBBP
SCHEMBL9106736 0.75 TSHR (0.52) TSHRCNR2BPTFP2RX7KMT2A
SCHEMBL9106744 0.75 TSHR (0.52) TSHRCNR2BPTFP2RX7KMT2A
SCHEMBL24415608 0.75 SLC6A2 (0.41) TSHRBPTFCREBBPEP300CCR1
SCHEMBL24416847 0.75 BPTF (0.40) TSHRCNR2BPTFP2RX7CREBBP
SCHEMBL24717306 0.75 BPTF (0.40) TSHRCNR2BPTFP2RX7CREBBP
SCHEMBL22134171 0.74 TSHR (0.45) TSHRCNR2BPTFP2RX7HDAC1
SCHEMBL20093855 0.74 TSHR (0.45) TSHRCNR2BPTFP2RX7HDAC1
SCHEMBL24415451 0.72 CREBBP (0.38) TSHRCNR2BPTFCREBBPEP300

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-2022257894-A1 P300 INHIBITOR AND PHARMACEUTICAL USE THEREOF 贝达药业股份有限公司 2022-12-15 WO disclosed