SCHEMBL7182330

SCHEMBL7182330

CCOc1cccc(OCC)c1/C=C/C(=O)c1ccc(NC)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.57
MAPT P10636 5/20 0.53
LMNA P02545 1/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
MAOB P27338 6/20 0.48
MAOA P21397 2/20 0.48
RAB9A P51151 5/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 4/20 0.45
PKM P14618 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP1A1 P04798 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP1B1 Q16678 1/20 0.43

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
SCHEMBL7182335 1.00 ABCG2 (0.57) ABCG2MAPTLMNAATMSMN1; SMN2
SCHEMBL7184732 0.90 ABCG2 (0.55) ABCG2MAPTLMNAATMSMN1; SMN2
SCHEMBL7190647 0.89 ABCG2 (0.53) ABCG2MAPTLMNAATMSMN1; SMN2
SCHEMBL8471269 0.86 ABCG2 (0.53) ABCG2MAPTLMNAATMSMN1; SMN2
SCHEMBL7191260 0.85 CYP1A1 (0.46) ABCG2MAPTLMNAATMSMN1; SMN2
SCHEMBL7191264 0.85 CYP1A1 (0.46) ABCG2MAPTLMNAATMSMN1; SMN2
SCHEMBL7184186 0.85 ABCG2 (0.61) ABCG2MAPTLMNAATMSMN1; SMN2
SCHEMBL7184176 0.85 ABCG2 (0.61) ABCG2MAPTLMNAATMSMN1; SMN2
SCHEMBL7098094 0.85 ABCG2 (0.80) ABCG2MAPTLMNAMAOBMAOA
SCHEMBL7802022 0.85 ABCG2 (0.80) ABCG2MAPTLMNAMAOBMAOA

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-6603046-B1 The invention is drawn to novel bis-aromatic a, beta -unsaturated ketones. The compounds are useful in the treatment and prophylaxis of diseases caused by parasites or bacteria. LICA PHARMACEUTICALS A/S (DK) 2003-08-05 US disclosed
EP-0634927-B1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA LICA PHARMACEUTICALS AS (DK) 2001-07-04 EP disclosed
US-5985935-A PARASITICIDES OR BACTERICIDES STATENS SERUMINSTITUT (DK) 1999-11-16 US disclosed
EP-0634927-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1995-01-25 EP disclosed
WO-1993017671-A1 TREATMENT AND PROPHYLAXIS OF DISEASES CAUSED BY PARASITES, OR BACTERIA STATENS SERUMINSTITUT (DK) 1993-09-16 WO disclosed