SCHEMBL11260433

SCHEMBL11260433

Cc1ccc(C(=O)CCn2ccnc2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
EGLN3 Q9H6Z9 1/20 0.49
TSHR P16473 1/20 0.47
KMT2A Q03164 4/20 0.47
TBXAS1 P24557 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 2/20 0.44
QPCT Q16769 1/20 0.44

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
SCHEMBL11270506 0.92 TBXAS1 (0.51) POLBCTDSP1TDP1TSHRKMT2A
SCHEMBL11257445 0.83 TBXAS1 (0.58) EGLN3KMT2ATBXAS1CYP11B1CYP11B2
SCHEMBL11260214 0.82 KMT2A (0.54) POLBCTDSP1TDP1EGLN3KMT2A
SCHEMBL11245721 0.79 POLB (0.48) POLBCTDSP1TDP1EGLN3TSHR
SCHEMBL11269463 0.78 POLB (0.47) POLBCTDSP1TDP1EGLN3TSHR
SCHEMBL11261485 0.76 TBXAS1 (0.60) KMT2ATBXAS1CYP11B1CYP11B2ALDH1A1
SCHEMBL10785065 0.76 MAPT (0.58) EGLN3KMT2ATBXAS1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9850522 0.75 CYP11B1 (0.43) POLBCTDSP1TDP1KMT2ATBXAS1
SCHEMBL11262682 0.75 TBXAS1 (0.67) TBXAS1KDM4EALDH1A1QPCT
SCHEMBL28739431 0.75 TSHR (0.52) POLBCTDSP1TDP1TSHRKMT2A

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-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US disclosed