SCHEMBL27275151

SCHEMBL27275151

c1cc2ccsc2cn1.c1cnc2ccsc2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
CYP2A6 P11509 6/20 0.37
ABCB1 P08183 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 2/20 0.35
NAMPT P43490 1/20 0.35
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP19A1 P11511 1/20 0.32
HPGD P15428 1/20 0.32
CYP2E1 P05181 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2B6 P20813 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32

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
SCHEMBL23806 0.82
SCHEMBL10970 0.82
SCHEMBL29368123 0.82
Hydrochloric Acid SCHEMBL10879894 0.80 CYP2A6 (0.40) LMNACYP2A6NAMPTCYP2E1CYP3A4
Hydrochloric Acid SCHEMBL10877970 0.80 CYP2A6 (0.40) LMNACYP2A6NAMPTCYP2E1CYP3A4
SCHEMBL30048909 0.80 ALDH1A1 (0.46) LMNACYP2A6ABCB1ALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL6309590 0.80 ALDH1A1 (0.46) LMNACYP2A6ABCB1ALDH1A1HSD17B10
SCHEMBL29894511 0.80 ALDH1A1 (0.46) LMNACYP2A6ABCB1ALDH1A1HSD17B10
SCHEMBL28027613 0.80 ALDH1A1 (0.46) LMNACYP2A6ABCB1ALDH1A1HSD17B10
Ethane SCHEMBL28746668 0.79 ALDH1A1 (0.45) LMNACYP2A6ABCB1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1020340-C 1-carbacephalosporin antibiotics LILLY CO ELI (US) 1993-04-21 CN disclosed
CN-86108961-A 1-CARBACEPHALOSPORIN ANTIBIOTICS 1987-08-05 CN disclosed