SCHEMBL7424024

SCHEMBL7424024

O=c1oc(C(F)(F)F)nc2c([N+](=O)[O-])cccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.63
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 2/20 0.46
F2 P00734 1/20 0.46
C1R P00736 1/20 0.46
KLK3 P07288 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
ALDH1A1 P00352 5/20 0.42
PDE10A Q9Y233 1/20 0.42
KDM4E B2RXH2 2/20 0.41
NOS1 P29475 2/20 0.41
NOS2 P35228 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL3192292 0.81 F2RL3 (0.46) ELANEMEN1KMT2AMAPTTDP1
SCHEMBL15519337 0.78 ELANE (0.68) ELANEKMT2AC1RCYP1A2
SCHEMBL20423396 0.78 ELANE (0.64) ELANEMEN1KMT2AMAPTF2
SCHEMBL465868 0.77 MEN1 (0.50) ELANEMEN1KMT2AMAPTF2
SCHEMBL21790503 0.74 ELANE (0.68) ELANEMEN1KMT2AC1RALDH1A1
SCHEMBL15169967 0.73 PKM (0.52) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL15170512 0.71 ALDH1A1 (0.48) MEN1KMT2AMAPTTDP1ALDH1A1
SCHEMBL6259019 0.70 ELANE (1.00) ELANEMEN1KMT2AC1R
SCHEMBL10353582 0.69 ELANE (0.59) ELANEC1RALDH1A1KDM4ECYP1A2
SCHEMBL11973306 0.68 ALDH1A1 (0.61) MEN1KMT2AMAPTTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6316482-B1 FOR THERAPY AND PROPHYLAXIS OF HYPERTENSION, HEART FAILURE, RENAL INSUFFICIENCY, EDEMA, ASCITES, VASOPRESSIN PARASECRETION SYNDROME, HEPATOCIRRHOSIS, HYPONATREMIA, HYPOKALEMIA, DIABETIC, CIRCULATION DISORDER, CEREBROVASCULAR DISEASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-13 US disclosed
US-6207693-B1 Benzamide derivatives having a vasopressin antagonistic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-03-27 US disclosed
EP-0946519-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-06 EP disclosed
WO-1998024771-A1 BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-11 WO disclosed