SCHEMBL9765068

SCHEMBL9765068

CCc1cc(C)c(N)c(N)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
CYP3A4 P08684 3/20 0.40
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
TP53 P04637 1/20 0.40
SKP2 Q13309 1/20 0.39
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CD44 P16070 1/20 0.36
MAPT P10636 2/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35
POLB P06746 2/20 0.34
NOS3 P29474 2/20 0.34
NOS1 P29475 2/20 0.34
NOS2 P35228 2/20 0.34
CYP1A2 P05177 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL5610598 0.87 ALDH1A1 (0.52) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL11061127 0.81 SKP2 (0.39) ALDH1A1CYP3A4TSHRSKP2KMT2A
SCHEMBL24629974 0.79 ALDH1A1 (0.39) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL27561633 0.79 ALDH1A1 (0.39) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL9853387 0.79 ALDH1A1 (0.50) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL11139083 0.77 CD44 (0.38) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL29611372 0.77 ALDH1A1 (0.41) ALDH1A1CYP3A4TSHRTDP1TP53
SCHEMBL4968643 0.77 GAA (0.56) ALDH1A1TSHRTDP1TP53SKP2
SCHEMBL21548743 0.77 SKP2 (0.37) ALDH1A1CYP3A4TSHRSKP2KMT2A
SCHEMBL27685433 0.77 ALDH1A1 (0.37) ALDH1A1CYP3A4TSHRTDP1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017322-A Interpenetrating polymer network of polysiloxane and polyurethane or polyurea, applied to mold used for boat hull INTERNATIONAL PAINT PUBLIC LIMITED COMPANY (GB) 1991-05-21 US disclosed
CN-1044673-A Prevent the method for marine biofouling INT PAINT PLC (GB) 1990-08-15 CN disclosed
EP-0329375-A1 Inhibition of marine fouling COURTAULDS COATINGS (HOLDINGS) LIMITED (GB) 1989-08-23 EP disclosed