SCHEMBL13839770

SCHEMBL13839770

Cc1ccc2c(c1)C=C[C@]1(O2)N(C)c2ccccc2C1(C)C

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.76
NPSR1 Q6W5P4 5/20 0.76
LMNA P02545 5/20 0.76
MEN1 O00255 5/20 0.76
KMT2A Q03164 5/20 0.76
GAA P10253 4/20 0.76
RECQL P46063 3/20 0.76
TDP1 Q9NUW8 3/20 0.76
TP53 P04637 2/20 0.76
ALOX15 P16050 2/20 0.76
ALPG P10696 1/20 0.76
HSD17B10 Q99714 1/20 0.76
THRB P10828 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
PKM P14618 2/20 0.53
PLIN1 O60240 1/20 0.53
TSHR P16473 1/20 0.53
PLIN5 Q00G26 1/20 0.53
ABHD5 Q8WTS1 1/20 0.53
GFER P55789 1/20 0.50

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
SCHEMBL8684751 1.00 MAPT (0.76) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL8680710 0.90 MAPT (0.65) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL8680354 0.89 MAPT (0.74) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL30309048 0.86 MAPT (1.00) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL4581142 0.86 MAPT (1.00) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL30285358 0.86 MAPT (0.74) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL8681769 0.86 MAPT (0.74) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL4628824 0.86 MAPT (0.74) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL29466134 0.85 MAPT (0.73) MAPTNPSR1LMNAMEN1KMT2A
SCHEMBL29783017 0.85 MAPT (0.73) MAPTNPSR1LMNAMEN1KMT2A

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
US-7538070-B2 Thermochromic recording medium XEROX CORPORATION (US) 2009-05-26 US disclosed