SCHEMBL6944324

SCHEMBL6944324

CCC(CCl)Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
MAPT P10636 4/20 0.58
POLB P06746 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 4/20 0.53
TDP1 Q9NUW8 1/20 0.53
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.46
GAA P10253 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46

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
SCHEMBL6944321 1.00 ALDH1A1 (0.58) ALDH1A1MAPTPOLBSMN1; SMN2HPGD
SCHEMBL7076006 0.95 MAPT (0.61) ALDH1A1MAPTPOLBSMN1; SMN2HPGD
SCHEMBL6943333 0.92 ALDH1A1 (0.59) ALDH1A1MAPTPOLBSMN1; SMN2HPGD
SCHEMBL6939699 0.92 ALDH1A1 (0.59) ALDH1A1MAPTPOLBSMN1; SMN2HPGD
SCHEMBL6939693 0.92 ALDH1A1 (0.59) ALDH1A1MAPTPOLBSMN1; SMN2HPGD
SCHEMBL6941788 0.88 ALDH1A1 (0.63) ALDH1A1MAPTPOLBSMN1; SMN2HPGD
SCHEMBL6939339 0.85 ALDH1A1 (0.56) ALDH1A1MAPTPOLBSMN1; SMN2HPGD
SCHEMBL7563245 0.85 ALDH1A1 (0.55) ALDH1A1MAPTPOLBSMN1; SMN2HPGD
SCHEMBL6939398 0.85 ALDH1A1 (0.61) ALDH1A1MAPTPOLBSMN1; SMN2HPGD
SCHEMBL7564054 0.85 MAPT (0.61) ALDH1A1MAPTPOLBSMN1; SMN2HPGD

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-1080069-B1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO (JP) 2003-03-19 EP disclosed
US-6384080-B1 TREATMENT AND/OR PREVENTION OF CERTAIN CARDIOVASCULAR DISORDERS, UROGENITAL DISORDERS, RESPIRATORY SYSTEM DISORDERS, DISORDERS OF GUT MOTILITY, SEXUAL DISORDERS, DIABETIC COMPLICATIONS, URTICARIA FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-05-07 US disclosed