SCHEMBL30980977

SCHEMBL30980977

CN1CCC(Nc2ccc(Br)cc2N)CC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
AAK1 Q2M2I8 4/20 0.41
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 1/20 0.39
KAT2B Q92831 2/20 0.39
ALOX15 P16050 2/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HDAC1 Q13547 1/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
KMT2A Q03164 1/20 0.35
HRH4 Q9H3N8 2/20 0.35
FPR2 P25090 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
SCHEMBL18182103 1.00 POLB (0.43) POLBAAK1CYP3A4CYP2D6KAT2B
SCHEMBL29791970 0.91 AAK1 (0.42) POLBAAK1CYP3A4CYP2D6KAT2B
SCHEMBL28536643 0.91 AAK1 (0.42) POLBAAK1CYP3A4CYP2D6KAT2B
SCHEMBL23177340 0.91 AAK1 (0.42) POLBAAK1CYP3A4CYP2D6KAT2B
SCHEMBL30980984 0.91 AAK1 (0.42) POLBAAK1CYP3A4CYP2D6KAT2B
SCHEMBL23177128 0.91 AAK1 (0.42) POLBAAK1CYP3A4CYP2D6KAT2B
SCHEMBL1519578 0.88 POLB (0.43) POLBCYP3A4CYP2D6KAT2BKDM4E
SCHEMBL29502212 0.85 AAK1 (0.48) AAK1ALOX15KDM4EGAAMAPT
SCHEMBL459719 0.85 AAK1 (0.48) AAK1ALOX15KDM4EGAAMAPT
SCHEMBL2946261 0.82 MAPT (0.56) AAK1ALOX15KDM4EGAAMAPT

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-112574189-B EP300/CBP inhibitor 海创药业股份有限公司 2024-05-31 CN disclosed