SCHEMBL11240574

SCHEMBL11240574

Cc1cc(C(=O)CCC#N)cc(C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.39
HTT P42858 5/20 0.39
MAPT P10636 4/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2C19 P33261 3/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 2/20 0.35
ALPL P05186 2/20 0.35

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
SCHEMBL28010208 0.81 ALDH1A1 (0.41) ALDH1A1HTTMAPTUSP2CYP1A2
SCHEMBL11243516 0.75 HCAR2 (0.51) HTTMAPTCYP2C19ATMKMT2A
SCHEMBL10353860 0.74 NPC1 (0.46) ALDH1A1MAPTCYP1A2LMNAGAA
SCHEMBL19330810 0.74 GSR (0.49) KMT2AHSD17B10
SCHEMBL11728908 0.74 KMT2A (0.58) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL11623274 0.73 KDM4E (0.41) HTTMAPTLMNAGAAHPGD
SCHEMBL28135125 0.72 MAPT (0.41) ALDH1A1HTTMAPTCYP3A4ATM
SCHEMBL19367484 0.71 KCNH2 (0.39) ALDH1A1HTTMAPTUSP2CYP1A2
SCHEMBL18752325 0.71 ALDH1A1 (0.37) ALDH1A1HTTMAPTUSP2CYP1A2
SCHEMBL23437875 0.71 GSK3B (0.52) HTTMAPTKMT2AMEN1

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-4354026-A 3-Chloro-6-(pyridinyl)-pyridazines STERLING DRUG INC. (US) 1982-10-12 US disclosed
US-4346221-A Preparation of 4-amino-6-(pyridinyl)-3(2H)-pyridazinones from 6-(pyridinyl)-3(2H)-pyridazinones STERLING DRUG INC. (US) 1982-08-24 US disclosed
US-4338446-A Di-(lower-alkyl)hydroxy-[2-oxo-2-(pyridinyl)ethyl]-propanedioates STERLING DRUG INC. (US) 1982-07-06 US disclosed
US-4337253-A 4,5-Dihydro-2-methyl-6-(4-pyridinyl)-3(2H)-pyridazinone and its use as a cardiotonic STERLING DRUG INC. (US) 1982-06-29 US disclosed
US-4305943-A 4-Amino-6-(pyridinyl)-3(2H)-pyridazinones and their use as cardiotonics STERLING DRUG INC. (US) 1981-12-15 US disclosed
US-4304776-A 4-Substituted-6-(pyridinyl)-3(2h)-pyridazinones and their use as intermediates and cardiotonics STERLING DRUG INC. (US) 1981-12-08 US disclosed
US-4304777-A 6-(Pyridinyl)-3(2H)-pyridazinones and their use as cardiotonics STERLING DRUG INC. (US) 1981-12-08 US disclosed
US-4304775-A 3-Hydrazino-6-(pyridinyl) pyridazines and cardiotonic use thereof STERLING DRUG INC. (US) 1981-12-08 US disclosed