SCHEMBL7956060

SCHEMBL7956060

CCCCc1ccc(C#N)[c]n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.38
CYP19A1 P11511 6/20 0.36
HSD17B10 Q99714 3/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 5/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 4/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
NPC1 O15118 1/20 0.31
CASP3 P42574 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
NOS2 P35228 1/20 0.31
KDM4E B2RXH2 3/20 0.31
BCAT2 O15382 1/20 0.30
HTT P42858 2/20 0.30

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
SCHEMBL11728124 0.95 KCNH2 (0.44) KCNH2CYP19A1HSD17B10TSHRALDH1A1
SCHEMBL7954011 0.89 KDM4E (0.38) CYP19A1HSD17B10KDM4EBCAT2
SCHEMBL7956130 0.82 CYP2A6 (0.33)
SCHEMBL135947 0.67
SCHEMBL19304857 0.67 TDP1 (0.39) HSD17B10TSHRALDH1A1MAPK1HPGD
SCHEMBL7213728 0.67 KDM4E (0.49) CYP19A1HSD17B10TSHRALDH1A1HPGD
SCHEMBL23019527 0.66 KDM4E (0.51) KCNH2CYP19A1HSD17B10TSHRALDH1A1
SCHEMBL7219744 0.66 KCNH2 (0.42) KCNH2HSD17B10ALDH1A1MAPK1HPGD
SCHEMBL12356537 0.65 KCNH2 (0.59) KCNH2CYP19A1HSD17B10ALDH1A1KDM4E
SCHEMBL18882595 0.64 KDM4E (0.54) KCNH2CYP19A1HSD17B10TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6211190-B1 Pyrimidine derivatives, process and intermediate products for their preparation and pesticides or fungicides containing these derivatives BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 US disclosed
US-5985919-A INSECTICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-11-16 US disclosed
CN-1161687-A Phenylacetic acid alkyl esters BASF AG (DE) 1997-10-08 CN disclosed
US-5554578-A Oxime ether derivatives, their preparation and fungicides containing these derivatives BASF AKTIENGESELLSCHAFT (DE) 1996-09-10 US disclosed
US-5468717-A Oxime ether derivatives, their preparation and fungicides containing these derivatives BASF AKTIENGESELLSCHAFT (DE) 1995-11-21 US disclosed
US-5334577-A 2-(substituted pyridy-oxymethyl)-phenylglyoxylate alkyloxime BASF AKTIENGESELLSCHAFT (DE) 1994-08-02 US disclosed
US-5286750-A For crops or ornamental plants BASF AKTIENGESELLSCHAFT (DE) 1994-02-15 US disclosed