SCHEMBL7977349

SCHEMBL7977349

C=CC(=O)N(C[C]=O)c1ncccc1Cc1ccccn1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.35
KDM4E B2RXH2 2/20 0.34
BCL2A1 Q16548 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SLC1A5 Q15758 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HPGD P15428 2/20 0.31
CYP1A2 P05177 3/20 0.31
TSHR P16473 1/20 0.31
GSTO1 P78417 1/20 0.30
CYP2C19 P33261 1/20 0.30
LMNA P02545 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7747347 0.80 HPGD (0.51) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7749850 0.79 CA1 (0.39) ALDH1A1
SCHEMBL7742597 0.78 BCL2A1 (0.34) KDM4EBCL2A1SMN1; SMN2ALDH1A1TSHR
SCHEMBL7748132 0.78 GSTO1 (0.31) BCL2A1GSTO1
SCHEMBL7748511 0.77 GSTO1 (0.32) KDM4EBCL2A1GSTO1TDP1
SCHEMBL7742978 0.77 NAPRT (0.42) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL7742741 0.76 TSHR (0.43) KDM4ESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7977127 0.76 AGTR1 (0.34) KDM4EALDH1A1CYP1A2GSTO1CYP2C19
SCHEMBL7748525 0.75 CYP1A2 (0.36) SMN1; SMN2MEN1KMT2AHPGDCYP1A2
SCHEMBL7747491 0.75 NPC1 (0.45) SMN1; SMN2NPC1RAB9ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194396-B1 ANTIALLERGENS; ANTIINFLAMMATION AGENTS; AUTOIMMUNE DISEASE; ANTISHOCK AGENTS; ANALGESICS; E.G., A 4 OR 7-PHENYLALKYLENE-OXYBENZIMIDAZOLE UNSUBSTITUTED OR SUBSTITUTED IN THE 1,2,3-POSITION WITH AN OXY, AMINO AND/OR THIO GROUP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-02-27 US disclosed
US-6083961-A FOR PREVENTION AND/OR TREATMENT OF BRADYKININ OR ITS ANALOGUES MEDIATED DISEASES SUCH AS ALLERGY, INFLAMMATION, AUTOIMMUNE DISEASE, SHOCK, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-04 US disclosed
EP-0774462-A1 HETEROCYCLIC COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed