SCHEMBL11339337

SCHEMBL11339337

COc1nncc(-c2ccc3ccccc3c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAC1 P63000 2/20 0.49
CYP11B2 P19099 4/20 0.45
MEN1 O00255 2/20 0.45
TSHR P16473 2/20 0.45
KMT2A Q03164 2/20 0.45
ATM Q13315 2/20 0.45
MAPT P10636 2/20 0.45
CYP1A2 P05177 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 3/20 0.43
USP2 O75604 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 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
SCHEMBL11269321 0.82 MAPT (0.61) MEN1TSHRKMT2AATMMAPT
SCHEMBL11336031 0.81 PTGDR (0.49) MEN1TSHRKMT2AATMMAPT
SCHEMBL11281002 0.80 NPC1 (0.47) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL11339510 0.79 ALDH1A1 (0.59) MEN1TSHRKMT2AATMMAPT
SCHEMBL11329822 0.77 NOTUM (0.46) MEN1TSHRKMT2AATMMAPT
SCHEMBL13950389 0.76 MEN1 (0.56) RAC1CYP11B2MEN1TSHRKMT2A
SCHEMBL11329014 0.76 ADORA2A (0.57) MEN1TSHRKMT2AATMMAPT
SCHEMBL11335510 0.76 L3MBTL1 (0.49) CYP11B2MEN1TSHRKMT2AATM
SCHEMBL3399073 0.76 CYP1A2 (0.64) CYP11B2MAPTCYP1A2ALDH1A1HPGD
SCHEMBL11631313 0.75 MEN1 (0.39) MEN1TSHRKMT2AATMMAPT

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-4251527-A ANTIINFLAMMATORY AGENTS DIAMOND SHAMROCK CORPORATION (US) 1981-02-17 US disclosed