SCHEMBL7905618

SCHEMBL7905618

CCCCn1ccnc1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
NOS1 P29475 1/20 0.43
MAPT P10636 2/20 0.42
CYP19A1 P11511 2/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GLA P06280 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL1646112 0.87 POLB (0.50) KMT2AALDH1A1POLBNOS1MAPT
SCHEMBL7908694 0.80 ALDH1A1 (0.53) KMT2AALDH1A1POLBMAPTCYP19A1
SCHEMBL28748507 0.79 ALDH1A1 (0.56) KMT2AALDH1A1POLBMEN1HTT
SCHEMBL27509144 0.79 LMNA (0.54) KMT2AALDH1A1POLBNOS1MAPT
Bromide SCHEMBL29378435 0.78 ALDH1A1 (0.54) KMT2AALDH1A1POLBMEN1HTT
SCHEMBL14720501 0.77 ALDH1A1 (0.50) KMT2AALDH1A1POLBMEN1NPSR1
SCHEMBL6115119 0.77 ALDH1A1 (0.69) KMT2AALDH1A1POLBLMNAHTT
SCHEMBL7905621 0.76 ALDH1A1 (0.49) KMT2AALDH1A1POLBMAPTLMNA
SCHEMBL5656670 0.76 MAPT (0.50) KMT2AALDH1A1POLBNOS1MAPT
SCHEMBL3182549 0.76 HTT (0.54) KMT2AALDH1A1POLBNOS1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197975-B1 7-AZABICYCLO(2.2.1)HEPTANE-7-CARBONYL-SUBSTITUTED 2-PHENYLINDOLE DERIVATIVES; SEXUAL DISORDERS; ANTICARCINOGENIC AGENTS MERCK & CO. , INC. 2001-03-06 US disclosed
CN-1209129-A Antagonists of gonadotropin releasing hormone MERCK & CO LTD (US) 1999-02-24 CN disclosed
EP-0882040-A4 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO INC (US) 1999-02-10 EP disclosed
EP-0882040-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE Merck & Co., Inc. (US) 1998-12-09 EP disclosed
WO-1997021707-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1997-06-19 WO disclosed