SCHEMBL25656333

SCHEMBL25656333

Cc1cccc(-c2ccc3c(ccc4cc(N)ccc43)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 4/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 3/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
POLB P06746 1/20 0.47
CYP3A4 P08684 2/20 0.46
HSD17B1 P14061 2/20 0.46
HSD17B2 P37059 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2B6 P20813 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAP4K4 O95819 2/20 0.45
PLAU P00749 1/20 0.44
ACHE P22303 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL24814601 0.81 RAB9A (0.45) ALDH1A1HSD17B10RAB9AHPGDNPC1
SCHEMBL25656541 0.79 MAP4K4 (0.49) ALDH1A1HSD17B10RAB9AHPGDNPC1
SCHEMBL25655779 0.79 CYP3A4 (0.50) ALDH1A1HSD17B10TP53CYP3A4HSD17B1
SCHEMBL30537941 0.79 ALDH1A1 (0.62) ALDH1A1HSD17B10RAB9AHPGDNPC1
SCHEMBL628485 0.79 ALDH1A1 (0.62) ALDH1A1HSD17B10RAB9AHPGDNPC1
SCHEMBL26834197 0.78 ALDH1A1 (0.68) ALDH1A1HSD17B10RAB9ANPC1SMN1; SMN2
SCHEMBL19901315 0.77 MAOA (0.64) ALDH1A1HSD17B10RAB9AHPGDNPC1
SCHEMBL18965686 0.77 ALDH1A1 (0.59) ALDH1A1HSD17B10RAB9AHPGDNPC1
SCHEMBL16519834 0.77 ALDH1A1 (0.61) ALDH1A1HSD17B10RAB9AHPGDNPC1
SCHEMBL30469297 0.77 MAOA (0.62) ALDH1A1HSD17B10RAB9AHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3561892-B1 ORGANIC LIGHT-EMITTING DEVICE LT MATERIALS CO LTD (KR) 2023-05-10 EP disclosed