SCHEMBL30728617

SCHEMBL30728617

CN1C[C@H](N)COc2ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
PKM P14618 1/20 0.37
NPR1 P16066 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
PBRM1 Q86U86 1/20 0.35
CYP19A1 P11511 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RIPK1 Q13546 8/20 0.33
HCRTR2 O43614 1/20 0.33
AHR P35869 1/20 0.32
CTSD P07339 1/20 0.32

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
SCHEMBL30728630 1.00 BLM (0.37) BLMTP53CYP1A2CYP3A4PKM
SCHEMBL22482352 0.79 KDM1A (0.32) HTT
SCHEMBL15957201 0.79 NISCH (0.42)
SCHEMBL28410901 0.79 NISCH (0.42)
SCHEMBL15956923 0.75 RIPK1 (0.44) BLMTP53CYP1A2CYP3A4PKM
SCHEMBL21156931 0.75 TP53 (0.35) BLMTP53CYP1A2CYP3A4PKM
SCHEMBL15956922 0.75 RIPK1 (0.44) BLMTP53CYP1A2CYP3A4PKM
SCHEMBL31089995 0.74 BLM (0.43) BLMTP53CYP1A2CYP3A4PKM
SCHEMBL30076378 0.74 ADRA1A (0.35) CYP3A4LMNAMAPT
Hydrochloric Acid SCHEMBL20477358 0.74 RIPK1 (0.43) BLMTP53CYP1A2CYP3A4PKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120192310-A Benzene as RIPK1 inhibitor and oxazepine compounds 南京天印健华医药科技有限公司 2025-06-24 CN disclosed
CN-117447460-A Heterocyclic compounds as RIPK1 inhibitors 南京天印健华医药科技有限公司 2024-01-26 CN disclosed