SCHEMBL30173026

SCHEMBL30173026

O=C1c2c(Cl)cccc2CN1Br

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.42
HTR2C P28335 4/20 0.42
HTR2B P41595 4/20 0.42
PARP1 P09874 1/20 0.38
GRM1 Q13255 4/20 0.38
AHR P35869 1/20 0.37
MAPT P10636 1/20 0.36
CES1 P23141 1/20 0.34
NSD2 O96028 1/20 0.34
AADAT Q8N5Z0 1/20 0.34

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
SCHEMBL14996503 0.81 PARP1 (0.57) HTR2AHTR2CHTR2BPARP1GRM1
SCHEMBL20325595 0.78 HTR2A (0.42) HTR2AHTR2CHTR2BPARP1GRM1
SCHEMBL803070 0.74 HTR2A (0.43) HTR2AHTR2CHTR2BPARP1GRM1
SCHEMBL6096596 0.74 GRM1 (0.40) HTR2AHTR2CHTR2BPARP1GRM1
SCHEMBL805487 0.74 PARP1 (0.47) HTR2AHTR2CHTR2BPARP1
SCHEMBL18086769 0.74 P2RX7 (0.41) HTR2AHTR2CHTR2BPARP1GRM1
SCHEMBL2024995 0.71 PARP1 (0.64) PARP1
SCHEMBL2023284 0.70 PARP1 (0.52) PARP1
SCHEMBL10085808 0.68 TP53 (0.54) HTR2AHTR2CHTR2BPARP1GRM1
SCHEMBL4716459 0.68 BDKRB1 (0.47) HTR2AHTR2CHTR2BPARP1GRM1

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
EP-4380565-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2024-06-12 EP disclosed
WO-2023015199-A1 HPK1 ANTAGONISTS AND USES THEREOF Nimbus Saturn, Inc. (US) 2023-02-09 WO disclosed