SCHEMBL7216360

SCHEMBL7216360

Cc1cc(C(N)=O)c([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.57
CYP3A4 P08684 2/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
ALDH1A1 P00352 6/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RECQL P46063 1/20 0.46
MITF O75030 1/20 0.43
HTT P42858 1/20 0.43
CCR6 P51684 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
GPR35 Q9HC97 2/20 0.41
PARP1 P09874 1/20 0.41
KMT2A Q03164 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
SCHEMBL8810085 0.91 MAPT (0.54) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL395696 0.83 TSHR (0.56) MAPTCYP3A4ALDH1A1LMNATSHR
SCHEMBL27530400 0.82 ALDH1A1 (0.46) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL2840392 0.82 POLB (0.47) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL6816420 0.82 MAPT (0.47) MAPTCYP3A4ALDH1A1LMNASMN1; SMN2
SCHEMBL10627028 0.81 TSHR (0.46) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL15264994 0.81 MAPT (0.60) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL29995429 0.81 MAPT (0.60) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL15938731 0.81 ALDH1A1 (0.45) MAPTCYP3A4BLMPMP22ALDH1A1
SCHEMBL11576391 0.81 KMT2A (0.53) MAPTCYP3A4BLMPMP22ALDH1A1

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-6596726-B1 Method of inhibiting epidermal growth factor by treating, with an effective inhibiting amount, a mammal, in need thereof inhibit the epidermal growth factor receptor and related receptors and, in particular, their tyrosine kinase enzyme WARNER LAMBERT COMPANY 2003-07-22 US disclosed
US-5679683-A USEFUL FOR TREATING CANCER, ARTHRITIS, PSORIASIS, VASCULAR RESTENOSIS AND ANGIOGENESIS WARNER-LAMBERT COMPANY (US) 1997-10-21 US disclosed
EP-0741711-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1996-11-13 EP disclosed
WO-1995019970-A1 TRICYCLIC COMPOUNDS CAPABLE OF INHIBITING TYROSINE KINASES OF THE EPIDERMAL GROWTH FACTOR RECEPTOR FAMILY WARNER-LAMBERT COMPANY (US) 1995-07-27 WO disclosed