SCHEMBL7914550

SCHEMBL7914550

CC1(F)CCN(c2ccccn2)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 11/20 0.58
ALDH1A1 P00352 11/20 0.58
HPGD P15428 7/20 0.58
TSHR P16473 6/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
CYP2D6 P10635 4/20 0.58
CYP2C19 P33261 4/20 0.58
CYP2C9 P11712 4/20 0.58
CYP3A4 P08684 3/20 0.58
MAPK1 P28482 3/20 0.58
USP2 O75604 3/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
CYP1A2 P05177 5/20 0.56
PLD1 Q13393 1/20 0.54
KDM4E B2RXH2 3/20 0.50
MAPT P10636 1/20 0.50
HIF1A Q16665 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL29609270 1.00 HSD17B10 (0.58) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL29371193 0.86 HSD17B10 (0.61) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL30641561 0.86 HSD17B10 (0.61) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL23610907 0.86 HSD17B10 (0.61) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL15412933 0.84 HSD17B10 (0.61) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL29608904 0.84 HSD17B10 (0.61) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL647719 0.83 HSD17B10 (0.58) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL30032675 0.79 HSD17B10 (0.56) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL15800694 0.79 PLD1 (0.73) HSD17B10ALDH1A1HPGDTSHRSMN1; SMN2
SCHEMBL21353591 0.79

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6221810-B1 3-hydroxy-4-aryl-5-oxo-pyrazoline derivatives BAYER AKTIENGESELLSCHAFT (DE) 2001-04-24 US disclosed
US-5780394-A EFFECTIVE AGAINST CHEMICAL RESISTANT PESTS; PESTICIDES, HERBIDES BAYER AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed
US-5739389-A INSECTICIDE; HERBICIDE BAYER AKTIENGESELLSCHAFT (DE) 1998-04-14 US disclosed
US-5661110-A PESTICIDES; INSECTICIDES; HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-08-26 US disclosed
EP-0508126-B1 3-Hydroxy-4-aryl-5-oxo-pyrazolin derivatives BAYER AG (DE) 1997-05-02 EP disclosed
US-5474974-A Insecticide, pesticide, nematocide, miticide and herbicide BAYER AKTIENGESELLSCHAFT (DE) 1995-12-12 US disclosed
US-5358924-A Pesticides, miticides, insecticides and herbicides BAYER AKTIENGESELLSCHAFT (DE) 1994-10-25 US disclosed
US-5332720-A 3-hydroxy-4-aryl-5-oxo-pyrazoline derivatives BAYER AKTIENGESELLSCHAFT (DE) 1994-07-26 US disclosed
EP-0508126-A1 3-Hydroxy-4-aryl-5-oxo-pyrazolin derivatives BAYER AG (DE) 1992-10-14 EP disclosed