SCHEMBL30503124

SCHEMBL30503124

Cc1nc2ccc3ccccc3c2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
MAPT P10636 2/20 0.59
HPGD P15428 1/20 0.59
RAB9A P51151 4/20 0.53
NPC1 O15118 2/20 0.53
TLR8 Q9NR97 1/20 0.47
TLR7 Q9NYK1 1/20 0.47
CDK1 P06493 1/20 0.46
CDK4 P11802 1/20 0.46
CCNB1 P14635 1/20 0.46
CCND1 P24385 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
HSD17B10 Q99714 3/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 4/20 0.41
TSHR P16473 2/20 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
SCHEMBL4567366 1.00 ALDH1A1 (0.59) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL17281453 0.81 RAB9A (0.72) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL20669009 0.79 RAB9A (0.70) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL18133621 0.79 RAB9A (0.70) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL15001036 0.79 RAB9A (0.57) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL23607006 0.78 ALDH1A1 (0.46) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL20673464 0.78 MAPT (0.44) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL16153614 0.78 RAB9A (0.54) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL6483920 0.77 ALDH1A1 (0.44) ALDH1A1MAPTHPGDRAB9ANPC1
SCHEMBL7905037 0.77 CYP3A4 (0.41) ALDH1A1MAPTHPGDRAB9ANPC1

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-20240401112-A1 NOVEL COMPOUNDS AND THEIR APPLICATIONS SFC CO., LTD. (KR) 2024-12-05 US disclosed
WO-2023153739-A1 NOVEL COMPOUND AND USES THEREOF 에스에프씨 주식회사 2023-08-17 WO disclosed