SCHEMBL11045929

SCHEMBL11045929

C=C(c1ncc[nH]1)C1CCCCCCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.47
KMT2A Q03164 1/20 0.35
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
ACKR3 P25106 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
TLK2 Q86UE8 1/20 0.31
F2RL1 P55085 1/20 0.31

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
SCHEMBL2425813 0.79 JAK3 (0.47) JAK3KMT2ARAB9ANPC1ACKR3
SCHEMBL2418976 0.76 JAK3 (0.44) JAK3KMT2ARAB9ANPC1ACKR3
SCHEMBL26917154 0.73 KMT2A (0.42) JAK3KMT2ARAB9ANPC1ACKR3
SCHEMBL1705485 0.72 NPC1 (0.40) KMT2ARAB9ANPC1
SCHEMBL2425503 0.72 KMT2A (0.45) JAK3KMT2ARAB9ANPC1HRH3
SCHEMBL11137294 0.69 NPC1 (0.42) KMT2ARAB9ANPC1
SCHEMBL11012848 0.69 ALDH1A1 (0.41) KMT2ARAB9ANPC1
SCHEMBL22904365 0.68 MMP9 (0.46) RAB9ANPC1
SCHEMBL3682800 0.68 SMN1; SMN2 (0.56) KMT2ARAB9ANPC1ACKR3
SCHEMBL3835258 0.68 KMT2A (0.41) KMT2ARAB9ANPC1ACKR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4284641-A ANTITHROMBOEMBOLIC AGENT BURROUGHS WELLCOME CO. (US) 1981-08-18 US claimed
EP-0000951-B1 PHARMACEUTICAL FORMULATIONS COMPRISING 1-SUBSTITUTED IMIDAZOLES, 1-SUBSTITUTED IMIDAZOLES AND 1-SUBSTITUTED IMIDAZOLES FOR USE IN THE TREATMENT OR PROPHYLAXIS OF THROMBO-EMBOLIC DISORDERS THE WELLCOME FOUNDATION LIMITED (GB) 1984-05-23 EP disclosed
EP-0000950-B1 IMIDAZOLE DERIVATIVES AND SALTS THEREOF AND THEIR SYNTHESIS THE WELLCOME FOUNDATION LIMITED (GB) 1984-02-01 EP disclosed
US-4317830-A ANTISHOCK AGENTS, ANTICOAGULANTS BURROUGHS WELLCOME CO. (US) 1982-03-02 US disclosed
US-4284641-A ANTITHROMBOEMBOLIC AGENT BURROUGHS WELLCOME CO. (US) 1981-08-18 US disclosed
EP-0000950-A1 Imidazole derivatives and salts thereof and their synthesis THE WELLCOME FOUNDATION LIMITED (GB) 1979-03-07 EP disclosed
EP-0000951-A1 Pharmaceutical Formulations comprising 1-substituted imidazoles, 1-substituted imidazoles and 1-substituted imidazoles for use in the treatment or prophylaxis of thrombo-embolic disorders THE WELLCOME FOUNDATION LIMITED (GB) 1979-03-07 EP disclosed