SCHEMBL6773448

SCHEMBL6773448

CCOC(=O)C(Cc1cccnc1)NC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 5/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
ATM Q13315 1/20 0.49
RAB9A P51151 2/20 0.46
HTT P42858 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GFER P55789 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTAFR P25105 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
SCHEMBL6779302 0.85 GPR132 (0.44) ALDH1A1LMNA
SCHEMBL7340855 0.82 TSHR (0.45) KMT2AALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL7835626 0.82 TSHR (0.48) KMT2AALDH1A1MAPTHTTMEN1
SCHEMBL6773680 0.81 ALDH1A1 (0.44) KMT2AALDH1A1LMNAMAPTRAB9A
SCHEMBL6773443 0.81 KMT2A (0.54) KMT2AALDH1A1LMNAMAPTATM
SCHEMBL7835677 0.80 GPR132 (0.42) ALDH1A1MAPT
SCHEMBL6779491 0.80 TSHR (0.55) KMT2ALMNAMAPTSMN1; SMN2POLB
SCHEMBL7836894 0.79 NAMPT (0.59) KMT2ALMNASMN1; SMN2GAA
SCHEMBL7345153 0.79 TSHR (0.46) KMT2ASMN1; SMN2
SCHEMBL7836417 0.78 GPR139 (0.49) KMT2AALDH1A1ATMMEN1

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-6831199-B1 In order to avoid bleeding side-effects when treating the conditions associated with integrin alpha v beta 3, it is beneficial to have compounds which are selective antagonists for alpha v beta 3 versus alpha IIb beta 3 G. D. SEARLE & CO. 2004-12-14 US disclosed
EP-0850221-B1 META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2001-07-18 EP disclosed
US-6028223-A AN INTEGRIN ANTAGONISTS TREATING BONE DISORDER, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR ANGIOGENESIS, DIABETIC RETINOPATHY, ARTHRITIS, SMOOTH MUSCLE CELL MIGRATION AND RESTENOSIS G. D. SEARLE & CO. (US) 2000-02-22 US disclosed