SCHEMBL7326945

SCHEMBL7326945

O=c1[nH]c(C(F)(F)F)nc2c1CCCC2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNKS O95271 2/20 0.56
TNKS2 Q9H2K2 2/20 0.56
PARP1 P09874 1/20 0.56
WNT3A P56704 1/20 0.56
HPGD P15428 4/20 0.49
ALDH1A1 P00352 3/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 4/20 0.43
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CYP2D6 P10635 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 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
SCHEMBL12030971 0.82 MAPT (0.53) TNKSTNKS2PARP1WNT3AHPGD
SCHEMBL18701482 0.79 HPGD (0.50) TNKSTNKS2PARP1WNT3AHPGD
SCHEMBL31389798 0.73 HRH4 (0.35) TNKSTNKS2PARP1WNT3AHPGD
SCHEMBL30850266 0.72 TNKS2 (0.36) TNKSTNKS2PARP1WNT3AALDH1A1
SCHEMBL31128527 0.72 PARP1 (0.47) TNKSTNKS2PARP1WNT3AHPGD
SCHEMBL3425926 0.72 HPGD (0.53) TNKSTNKS2PARP1WNT3AHPGD
SCHEMBL15599438 0.72 HPGD (0.53) TNKSTNKS2PARP1WNT3AHPGD
SCHEMBL3122203 0.72 PARP1 (0.59) TNKSTNKS2PARP1WNT3AHPGD
SCHEMBL10568181 0.72 HPGD (0.53) TNKSTNKS2PARP1WNT3AHPGD
SCHEMBL26017824 0.72 HPGD (0.53) TNKSTNKS2PARP1WNT3AHPGD

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
EP-0610439-B1 PYRIMIDOCYCLOALKANES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PROD (US) 1999-12-15 EP disclosed
US-5451583-A Angiotensin inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1995-09-19 US disclosed
EP-0610439-A1 PYRIMIDOCYCLOALKANES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1994-08-17 EP disclosed
WO-1994011365-A1 SUBSTITUTED BENZIMIDAZOLES AND QUINAZOLINES AS ANTIHYPERTENSIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1994-05-26 WO disclosed
US-5283242-A Hypotensive agents, cardiotonic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1994-02-01 US disclosed
US-5234936-A Treating hypertension, congestive heart failure, hyperlipidemia and hypercholesterolemia AMERICAN HOME PRODUCTS CORPORATION (US) 1993-08-10 US disclosed
WO-1993008171-A1 PYRIMIDOCYCLOALKANES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-04-29 WO disclosed