SCHEMBL28072960

SCHEMBL28072960

Cc1ccc2sc(-c3cc4ccccc4o3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ TP53 P04637 2/20 0.49
▸ F2RL3 Q96RI0 6/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ TSHR P16473 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ CYP19A1 P11511 1/20 0.43
▸ DCTPP1 Q9H773 1/20 0.43
▸ STAT1 P42224 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ METAP2 P50579 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
SCHEMBL28073111 0.84 RAB9A (0.52) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL22701733 0.83 PIK3CD (0.49) MAPTSMN1; SMN2TP53F2RL3NPC1
SCHEMBL28033947 0.75 ALDH1A1 (0.45) MAPTSMN1; SMN2F2RL3NPC1RAB9A
SCHEMBL507496 0.74 SMN1; SMN2 (0.71) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL13801141 0.74 MAPT (0.51) MAPTSMN1; SMN2F2RL3NPC1RAB9A
SCHEMBL3131278 0.72 KDM4E (0.63) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL26745007 0.72 MAOB (0.51) MAPTSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL12408909 0.72 MAPT (0.84) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL23176467 0.72 MAPT (0.55) MAPTSMN1; SMN2TP53NPC1RAB9A
SCHEMBL26745028 0.71 KDM4E (0.37) MAPTSMN1; SMN2F2RL3NPC1RAB9A

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
CN-105705131-A Cosmetic or dermatological composition comprising a merocyanine and an insoluble organic UV-screening agent and/or an insoluble inorganic UV-screening agent 莱雅公司 2016-06-22 — — CN disclosed
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