SCHEMBL24681245

SCHEMBL24681245

CC(C)[C@@H]1CN(c2ccc(Cl)cc2)CCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.41
▸ MAPT P10636 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HTR3E A5X5Y0 1/20 0.39
▸ HTR3B O95264 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ HTR3D Q70Z44 1/20 0.39
▸ HTR3C Q8WXA8 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ RAD51 Q06609 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ CHIT1 Q13231 2/20 0.36
▸ CHIA Q9BZP6 2/20 0.36
▸ CHI3L1 P36222 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ FFAR2 O15552 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
SCHEMBL24681247 1.00 NOTUM (0.41) NOTUMMAPTSMN1; SMN2HTR3EHTR3B
SCHEMBL24681614 1.00 NOTUM (0.41) NOTUMMAPTSMN1; SMN2HTR3EHTR3B
SCHEMBL8643271 0.84 LMNA (0.47) NOTUMMAPTSMN1; SMN2KMT2AMEN1
SCHEMBL29157654 0.84 NOTUM (0.45) NOTUMMAPTSMN1; SMN2ADRB1SIGMAR1
SCHEMBL29157655 0.84 NOTUM (0.45) NOTUMMAPTSMN1; SMN2ADRB1SIGMAR1
SCHEMBL13113465 0.82 ALDH1A1 (0.38) MAPTSMN1; SMN2FFAR2TSHR
SCHEMBL24680805 0.80 RAD51 (0.43) NOTUMRAD51ACACBFFAR2
SCHEMBL24681541 0.80 RAD51 (0.43) NOTUMRAD51ACACBFFAR2
SCHEMBL24680971 0.80 RAD51 (0.43) NOTUMRAD51ACACBFFAR2
SCHEMBL29914582 0.80 RAD51 (0.43) NOTUMRAD51ACACBFFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117597340-A Substituted amino-aza-heteroaryl compounds as inhibitors of hematopoietic progenitor kinase 1 (HPK 1) 安大略省癌症研究所(OICR) 2024-02-23 — — CN disclosed
WO-2022226667-A1 SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 — — WO disclosed
WO-2022226666-A1 SUBSTITUTED AMINO AZA-HETEROARYL COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 — — WO disclosed
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