SCHEMBL13325774

SCHEMBL13325774

CCc1ccc(-c2cn3cc(-c4ccccc4)c(C)cc3n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A3 P47895 7/20 0.50
▸ SLC2A1 P11166 1/20 0.50
▸ NPC1 O15118 7/20 0.49
▸ ALDH1A1 P00352 6/20 0.49
▸ RAB9A P51151 6/20 0.49
▸ KDM4E B2RXH2 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ PKM P14618 3/20 0.49
▸ TP53 P04637 3/20 0.49
▸ HPGD P15428 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CDK5 Q00535 1/20 0.49
▸ CDK5R1 Q15078 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ ALDH1A2 O94788 1/20 0.48
▸ KLF5 Q13887 1/20 0.47
▸ MAPT P10636 3/20 0.47
▸ TLR9 Q9NR96 1/20 0.44
▸ LMNA P02545 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
SCHEMBL13325783 0.78 NPC1 (0.59) ALDH1A3SLC2A1NPC1ALDH1A1RAB9A
SCHEMBL15417672 0.77 NPC1 (0.63) ALDH1A3SLC2A1NPC1ALDH1A1RAB9A
SCHEMBL13325784 0.77 ALDH1A3 (0.64) ALDH1A3SLC2A1NPC1ALDH1A1RAB9A
SCHEMBL13325751 0.77 TP53 (0.75) NPC1ALDH1A1RAB9AKDM4ESMN1; SMN2
SCHEMBL6526204 0.76 NR4A2 (0.70) ALDH1A3NPC1ALDH1A1RAB9AKDM4E
SCHEMBL5300531 0.76 NPC1 (0.71) ALDH1A3SLC2A1NPC1ALDH1A1RAB9A
SCHEMBL19389852 0.75 NPC1 (0.74) ALDH1A3SLC2A1NPC1ALDH1A1RAB9A
SCHEMBL9797218 0.75 NPC1 (0.75) ALDH1A3SLC2A1NPC1ALDH1A1RAB9A
SCHEMBL13325704 0.75 ALDH1A3 (0.55) ALDH1A3SLC2A1NPC1ALDH1A1RAB9A
SCHEMBL13325788 0.74 ALDH1A3 (0.62) ALDH1A3SLC2A1NPC1ALDH1A1RAB9A

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
US-7714319-B2 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2010-05-11 — — US disclosed
US-20070120111-A1 Organic thin film transistor IDEMITSU KOSAN CO., LTD. (JP) 2007-05-31 — — US disclosed
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