SCHEMBL26889142

SCHEMBL26889142

Clc1ccnc2[nH]c(CNC3CCCCC3)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.42
▸ GLA P06280 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CYP2D6 P10635 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KMT5B Q4FZB7 2/20 0.39
▸ KMT5C Q86Y97 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ PABPC1 P11940 1/20 0.37
▸ CDC7 O00311 2/20 0.37
▸ PIM1 P11309 1/20 0.37
▸ CDK9 P50750 1/20 0.37

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
SCHEMBL26686492 0.81 KDM5B (0.46) CDC7PIM1CDK9NUDT1AXL
SCHEMBL26686140 0.79 DAO (0.39) TSHRSMN1; SMN2CDC7PIM1CDK9
SCHEMBL31240355 0.76 CDK9 (0.41) HTTGLANPSR1CYP2D6HPGD
SCHEMBL26686776 0.74 HRH3 (0.43) CYP2D6SMN1; SMN2POLBHRH3CDC7
SCHEMBL13656931 0.74 ALDH1A1 (0.40) HTTGLANPSR1CYP2D6HPGD
SCHEMBL16041242 0.73 CSF1R (0.52) CDK9
SCHEMBL26889101 0.73 AXL (0.40) CYP2D6HPGDALDH1A1KDM4ECDC7
SCHEMBL26889301 0.73 CCNK (0.45) SMN1; SMN2POLBHRH3CDC7PIM1
SCHEMBL26889371 0.73 CCNK (0.45) SMN1; SMN2POLBHRH3CDC7PIM1
Hydrochloric Acid SCHEMBL4272184 0.73 GLA (0.41) HTTGLANPSR1CYP2D6HPGD

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-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 — — WO disclosed
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