SCHEMBL6505265

SCHEMBL6505265

C/C(=C\N(C)C)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
GLA P06280 1/20 0.58
ALDH1A1 P00352 3/20 0.55
MAPT P10636 2/20 0.55
CYP11B1 P15538 6/20 0.52
CYP11B2 P19099 5/20 0.52
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
FSCN1 Q16658 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45
CYP3A4 P08684 1/20 0.44
GABRA1 P14867 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRB1 P18505 1/20 0.44
GABRB2 P47870 1/20 0.44

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
SCHEMBL5633899 1.00 POLB (0.60) POLBGLAALDH1A1MAPTCYP11B1
SCHEMBL7378793 0.84 POLB (0.58) POLBGLAALDH1A1MAPTCYP11B1
SCHEMBL11237579 0.81 TSHR (0.53) POLBGLAALDH1A1MAPTTSHR
SCHEMBL11237581 0.81 TSHR (0.53) POLBGLAALDH1A1MAPTTSHR
SCHEMBL1404594 0.81 POLB (0.61) POLBGLAALDH1A1MAPTCYP11B1
SCHEMBL1404593 0.81 POLB (0.61) POLBGLAALDH1A1MAPTCYP11B1
SCHEMBL10516101 0.81 GLA (0.59) POLBGLAALDH1A1MAPTCYP11B1
SCHEMBL3126651 0.81 GLA (0.58) POLBGLAALDH1A1MAPTCYP11B1
SCHEMBL3126653 0.81 GLA (0.58) POLBGLAALDH1A1MAPTCYP11B1
SCHEMBL25796691 0.80 CYP11B1 (0.57) POLBGLAALDH1A1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6958341-B2 Pyrazolopyrimidines as CRF antagonists BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-10-25 US disclosed
WO-2000059908-A2 PYRAZOLOPYRIMIDINES AS CRF ANTAGONISTS DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO disclosed