SCHEMBL7991729

SCHEMBL7991729

CCCc1cc([N+](=O)[O-])sc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 11/20 0.42
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CHUK O15111 3/20 0.35
EPHA3 P29320 3/20 0.35
PDGFRA P16234 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
NTRK1 P04629 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTT P42858 2/20 0.34
POLB P06746 1/20 0.33

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
SCHEMBL30468111 0.84 SMN1; SMN2 (0.33) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL11185663 0.74 LMNA (0.40) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL17629367 0.72 SMN1; SMN2 (0.39) IKBKBSMN1; SMN2LMNAALDH1A1CHUK
SCHEMBL28218356 0.68 SMN1; SMN2 (0.35) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL1845394 0.67 LMNA (0.35) SMN1; SMN2LMNAALDH1A1KMT2ACYP3A4
SCHEMBL1845392 0.67 LMNA (0.35) SMN1; SMN2LMNAALDH1A1KMT2ACYP3A4
SCHEMBL6272138 0.67 KMT2A (0.56) SMN1; SMN2ALDH1A1MEN1KMT2ACYP3A4
SCHEMBL10639290 0.66 LMNA (0.40) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL13464120 0.66 HTT (0.41) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL13545968 0.66 ALDH1A1 (0.40) LMNAALDH1A1PDGFRAMEN1KMT2A

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-6303602-B1 USEFUL AS ANALGESIC, ANESTHETIC, ANTI-INFLAMMATORY OR NEUROPROTECTIVE AGENT, OR FOR THERAPY OF ARTHRITIS, STROKE OF FUNCTIONAL BOWEL DISEASE PFIZER INC. 2001-10-16 US disclosed
EP-0934264-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (US) 1999-08-11 EP disclosed
WO-1998012177-A1 PYRROLIDINYL AND PYRROLINYL ETHYLAMINE COMPOUNDS AS KAPPA AGONISTS PFIZER INC. (JP) 1998-03-26 WO disclosed