SCHEMBL11712972

SCHEMBL11712972

N#CCn1cc(-c2ccccc2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ CPT2 P23786 1/20 0.45
▸ CPT1A P50416 1/20 0.45
▸ CPT1B Q92523 1/20 0.45
▸ ASH1L Q9NR48 3/20 0.45
▸ HTR6 P50406 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ CCNT1 O60563 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ F2RL3 Q96RI0 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
SCHEMBL30582442 0.83 MEN1 (0.51) MEN1KMT2APOLBCPT2CPT1A
SCHEMBL11715006 0.82 ACLY (0.44) MEN1KMT2APOLBALDH1A1SMN1; SMN2
SCHEMBL11714712 0.82 GSK3B (0.40) MEN1KMT2APOLBASH1LSMN1; SMN2
SCHEMBL11714211 0.77 ALDH1A1 (0.37) MEN1KMT2APOLBASH1LALDH1A1
SCHEMBL4754296 0.76 SIRT2 (0.61) MEN1KMT2APOLBHTR6ALDH1A1
SCHEMBL28671386 0.75 MEN1 (0.44) MEN1KMT2APOLBALDH1A1TSHR
SCHEMBL19996601 0.75 CNR2 (0.51) CPT2CPT1ACPT1BASH1LALDH1A1
SCHEMBL11667839 0.75 PDE4B (0.56) MEN1KMT2ACPT2CPT1ACPT1B
SCHEMBL11713078 0.75 ASH1L (0.64) ASH1LHTR6CAMK2D
SCHEMBL12260323 0.73 F2RL3 (0.49) MEN1KMT2APOLBCPT2CPT1A

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
US-4002611-A Preparation of benzodiazepines SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-01-11 — — US disclosed
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