SCHEMBL6984235

SCHEMBL6984235

CCOCCCn1c(CCc2ccc(C#N)cc2)nc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.50
OPRM1 P35372 2/20 0.49
BRD4 O60885 1/20 0.44
CREBBP Q92793 1/20 0.44
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
KCNJ1 P48048 1/20 0.42
KCNH2 Q12809 1/20 0.42
ITK Q08881 4/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP19A1 P11511 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
PKM P14618 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
SCARB1 Q8WTV0 1/20 0.38

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
SCHEMBL6159759 0.82 KMT2A (0.58) CNR2OPRM1KMT2AMEN1KCNJ1
SCHEMBL6985924 0.78 CNR2 (0.45) CNR2OPRM1KMT2AMEN1ALDH1A1
SCHEMBL6980052 0.77 F2 (0.50) BRD4CREBBPITKALDH1A1LMNA
SCHEMBL8029974 0.74 ALDH1A1 (0.55) CNR2OPRM1KMT2AMEN1KCNJ1
SCHEMBL6480997 0.73 HDAC1 (0.50) BRD4CREBBPKCNH2ITKHDAC1
SCHEMBL6985404 0.73 HDAC1 (0.40) CNR2OPRM1BRD4CREBBPKMT2A
SCHEMBL7377767 0.71 ALDH1A1 (0.53) CNR2OPRM1KMT2AMEN1ALDH1A1
SCHEMBL6634205 0.70 KMT2A (0.51) CNR2OPRM1KMT2AMEN1LMNA
SCHEMBL6637649 0.69 KCNJ1 (0.53) KMT2AMEN1KCNJ1KCNH2ALDH1A1
SCHEMBL8029881 0.69 KCNJ1 (0.46) CNR2OPRM1KMT2AMEN1KCNJ1

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
EP-1220844-B1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2003-04-09 EP disclosed
US-6365584-B1 FOR PROPHYLAXIS AND THERAPY OF INFLAMMATORY AND/OR ALLERGIC DISEASES, LUNG FIBROSIS, FIBROSING ALVEOLITIS AND SCARRING, COLLAGENOSES SUCH AS LUPUS ERYTHEMATODES AND SCLERODERMIA AS WELL AS ARTERIOSCLEROSIS, PSORIASIS AND NEOPLASM BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-04-02 US disclosed