SCHEMBL31185072

SCHEMBL31185072

O=C1c2cccc(Br)c2CN1C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.49
▸ PARP1 P09874 2/20 0.45
▸ HTR2C P28335 8/20 0.44
▸ HTR2B P41595 8/20 0.44
▸ HTR2A P28223 7/20 0.44
▸ CDK4 P11802 1/20 0.43
▸ PARP10 Q53GL7 1/20 0.41
▸ PARP11 Q9NR21 1/20 0.41
▸ CRBN Q96SW2 2/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ TNF P01375 1/20 0.40
▸ IL1B P01584 1/20 0.40
▸ IKZF1 Q13422 1/20 0.40
▸ DDB1 Q16531 1/20 0.40
▸ IKZF3 Q9UKT9 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ CSNK1A1 P48729 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40

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
Hydrochloric Acid SCHEMBL31184864 0.84 HTR2B (0.48) MAPK1HTR2CHTR2BHTR2ACDK4
SCHEMBL30659847 0.84 PARP1 (0.49) MAPK1PARP1HTR2CHTR2BHTR2A
SCHEMBL1477268 0.83 MAPK1 (0.71) MAPK1PARP1HTR2CHTR2BHTR2A
SCHEMBL31184577 0.81 MAPK1 (0.46) MAPK1PARP1HTR2CHTR2BHTR2A
SCHEMBL22733298 0.79 CRBN (0.49) MAPK1HTR2CHTR2BHTR2ACDK4
SCHEMBL1976916 0.76 PARP1 (0.56) PARP1HTR2CHTR2BHTR2ACRBN
Hydrochloric Acid SCHEMBL5252977 0.76 PARP1 (0.47) PARP1HTR2CHTR2BHTR2APARP10
SCHEMBL31184880 0.76 MAPK1 (0.45) MAPK1PARP1HTR2CHTR2BHTR2A
SCHEMBL19611963 0.75 CRBN (0.47) MAPK1HTR2CHTR2BHTR2ACDK4
SCHEMBL19611961 0.75 CRBN (0.47) MAPK1HTR2CHTR2BHTR2ACDK4

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-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
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