SCHEMBL9830631

SCHEMBL9830631

Cc1[nH]nc(N)c1C(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
AKT2 P31751 1/20 0.50
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CCNA1 P78396 1/20 0.43
GRM6 O15303 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.42
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
PBRM1 Q86U86 1/20 0.41
HTT P42858 1/20 0.41
IKBKE Q14164 1/20 0.40
ILK Q13418 1/20 0.40
MEN1 O00255 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
SCHEMBL3637493 0.82 PDE4D (0.49) KMT2AAKT2ALDH1A1MAPTLMNA
SCHEMBL11307153 0.81 ALDH1A1 (0.45) KMT2AALDH1A1MAPTLMNACCNA2
SCHEMBL10488455 0.77 HCAR2 (0.44) KMT2AAKT2LMNASMN1; SMN2HTT
SCHEMBL1901874 0.76 HTT (0.49) KMT2AALDH1A1MAPTLMNACCNA2
SCHEMBL14044117 0.71 HCAR2 (0.61) KMT2AALDH1A1CCNA2CDK2CCNA1
SCHEMBL10372596 0.70 MAPT (0.47) KMT2AALDH1A1MAPTLMNAGRM6
SCHEMBL8817288 0.69 HTT (0.44) KMT2AALDH1A1MAPTLMNACCNA2
Hydrochloric Acid SCHEMBL10372808 0.69 MAPT (0.46) KMT2AALDH1A1MAPTLMNAGRM6
SCHEMBL3511548 0.69 JAK2 (0.66) ALDH1A1SMN1; SMN2GAAJAK2JAK1
SCHEMBL27527047 0.68 MAPT (0.58) KMT2AALDH1A1MAPTLMNAGRM6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0129846-B1 (3-AMINO-1H-PYRAZOL-4-YL)(ARYL)METHANONES AMERICAN CYANAMID COMPANY (US) 1991-05-08 EP claimed
EP-0129846-A2 (3-Amino-1H-pyrazol-4-yl)(aryl)methanones AMERICAN CYANAMID COMPANY (US) 1985-01-02 EP claimed