SCHEMBL8945987

SCHEMBL8945987

CCNC(CN(C(=O)C(C)(C)C)c1ccccc1)c1sccc1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
CXCR1 P25024 1/20 0.35
CXCR2 P25025 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
TSHR P16473 1/20 0.34
ALOX5 P09917 1/20 0.34
RIPK1 Q13546 1/20 0.34
PKM P14618 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL8946098 0.91 MEN1 (0.44) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8945870 0.89 MEN1 (0.48) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8945908 0.72 MEN1 (0.50) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8945998 0.70 RIPK1 (0.40) CXCR1CXCR2RIPK1
SCHEMBL8945990 0.70 ALOX5 (0.36) CXCR1CXCR2ALOX5RIPK1
SCHEMBL9425074 0.70 MAPT (0.39) MEN1KMT2ACXCR1CXCR2ALDH1A1
SCHEMBL8761523 0.70 SIGMAR1 (0.47) PKM
Hydrochloric Acid SCHEMBL9482717 0.69 SIGMAR1 (0.46) PKM
SCHEMBL8945883 0.69 MEN1 (0.49) MEN1KMT2ACYP3A4CYP2C9CYP2C19
SCHEMBL8945931 0.69 MEN1 (0.49) MEN1KMT2ACYP3A4CYP2C9CYP2C19

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-5510346-A ANTIDEPRESSANTS, ANTIANXIETY AGENTS HOECHST MARION ROUSSEL, INC. (US) 1996-04-23 US disclosed