SCHEMBL5903097

SCHEMBL5903097

CC1CC=NN1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ GAA P10253 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GLA P06280 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ RIPK1 Q13546 7/20 0.35
▸ G6PD P11413 1/20 0.34
▸ ALOX5 P09917 1/20 0.34

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
SCHEMBL11066334 0.74 RIPK1 (0.50) ALDH1A1GLAMEN1MAPTKMT2A
SCHEMBL13450035 0.69 RIPK1 (0.39) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL9843626 0.68 PRKCZ (0.54) GAAALDH1A1MEN1KMT2AATM
SCHEMBL13387492 0.67 MAPT (0.47) GAAALDH1A1GLAHPGDMEN1
SCHEMBL7721905 0.65 L3MBTL1 (0.40) GAAALDH1A1GLAHPGDMEN1
SCHEMBL3679184 0.65 SMN1; SMN2 (0.52) CA1CA2ALDH1A1MEN1MAPT
SCHEMBL11209096 0.64 ATM (0.60) CA1CA2GAAALDH1A1GLA
SCHEMBL1071244 0.64 MAPK1 (0.50) GAAALDH1A1HPGDMAPTL3MBTL1
SCHEMBL18290913 0.64 ALDH1A1 (0.36) GAAALDH1A1GLAHPGDMEN1
SCHEMBL12140369 0.64 ALDH1A1 (0.36) GAAALDH1A1GLAHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4662905-A REACTION PRODUCT OF COPPER SALT AND AN IMIDAZOLE, PYRAZOLE, TRIAZOLE, OR TETRAZOLE Itaru Todoriki, Director of Agency of Industrial Science and Technology (JP) 1987-05-05 — — US claimed
US-7371759-B2 HMG-CoA reductase inhibitors and method BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-13 — — US disclosed
US-7074244-B2 Hair dyeing method including an aligning step UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. (US) 2006-07-11 — — US disclosed
US-20050000036-A1 Hair dyeing method including an aligning step UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2005-01-06 — — US disclosed
EP-0162247-B1 PROCESS FOR THE PREPARATION OF PYRAZOLES BASF Aktiengesellschaft (DE) 1987-08-26 — — EP disclosed
US-4662905-A REACTION PRODUCT OF COPPER SALT AND AN IMIDAZOLE, PYRAZOLE, TRIAZOLE, OR TETRAZOLE Itaru Todoriki, Director of Agency of Industrial Science and Technology (JP) 1987-05-05 — — US disclosed
EP-0162247-A1 Process for the preparation of pyrazoles BASF Aktiengesellschaft (DE) 1985-11-27 — — EP disclosed
EP-0088963-A1 Process for the preparation of pyrazoles by catalytic dehydrogenation of pyrazolines BASF Aktiengesellschaft (DE) 1983-09-21 — — EP disclosed
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