SCHEMBL24535612

SCHEMBL24535612

CC(c1ccc(NC(=O)CCc2ccc(C#N)nn2)cc1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 4/20 0.46
▸ RAB9A P51151 1/20 0.43
▸ POLB P06746 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ DEGS1 O15121 1/20 0.36
▸ MCHR1 Q99705 1/20 0.36
▸ MLYCD O95822 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GLA P06280 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ RORC P51449 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ KCNH2 Q12809 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
SCHEMBL21424031 0.76 PANK3 (0.46) PANK3RAB9AALDH1A1DEGS1MEN1
SCHEMBL24535611 0.74 PANK3 (0.37) PANK3RAB9APOLBALDH1A1MEN1
SCHEMBL26501697 0.73 RORC (0.41) PANK3RAB9APOLBALDH1A1DEGS1
SCHEMBL21424096 0.68 PANK3 (0.48) PANK3ALDH1A1DEGS1KMT2AMAPT
SCHEMBL21424019 0.67 PANK3 (0.57) PANK3DEGS1TSHRCNR2KCNH2
SCHEMBL2688260 0.66 DEGS1 (0.46) RAB9AALDH1A1DEGS1MLYCDMEN1
SCHEMBL24536033 0.65 PANK3 (0.33) PANK3RAB9AMEN1KMT2A
SCHEMBL11161614 0.64 TP53 (0.58) RAB9AALDH1A1MEN1KMT2ARORC
SCHEMBL31717602 0.63 PANK3 (1.00) PANK3
SCHEMBL19748700 0.63 PANK3 (1.00) PANK3

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
WO-2022133034-A1 METHODS OF TREATING DISORDERS ASSOCIATED WITH CASTOR ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2022-06-23 — — WO disclosed
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