SCHEMBL22265397

SCHEMBL22265397

CCCCCCCCCCCc1ccc(-c2noc(C3CN(/C(=N/C(=O)O)NC(=O)OC(C)(C)C)C3)n2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 7/20 0.43
SPHK1 Q9NYA1 2/20 0.43
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
FAAH O00519 1/20 0.38
MGLL Q99685 1/20 0.38
GRM5 P41594 2/20 0.36
S1PR1 P21453 2/20 0.36
HDAC4 P56524 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
CPT1A P50416 1/20 0.35

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
SCHEMBL22265399 1.00 SPHK2 (0.43) SPHK2SPHK1CYP1A2POLBCYP3A4
SCHEMBL22265298 1.00 SPHK2 (0.43) SPHK2SPHK1CYP1A2POLBCYP3A4
SCHEMBL22265443 1.00 SPHK2 (0.43) SPHK2SPHK1CYP1A2POLBCYP3A4
SCHEMBL22265297 1.00 SPHK2 (0.43) SPHK2SPHK1CYP1A2POLBCYP3A4
SCHEMBL22265445 1.00 SPHK2 (0.43) SPHK2SPHK1CYP1A2POLBCYP3A4
SCHEMBL29523191 0.95 SPHK2 (0.43) SPHK2SPHK1CYP1A2POLBCYP3A4
SCHEMBL29523574 0.95 SPHK2 (0.43) SPHK2SPHK1CYP1A2POLBCYP3A4
SCHEMBL29522973 0.95 SPHK2 (0.43) SPHK2SPHK1CYP1A2POLBCYP3A4
SCHEMBL22265979 0.94 HTT (0.46) SPHK2SPHK1CYP1A2POLBCYP3A4
SCHEMBL22265975 0.94 HTT (0.46) SPHK2SPHK1CYP1A2POLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3914592-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY University of Virginia Patent Foundation (US) 2021-12-01 EP disclosed
WO-2020154431-A1 INHIBITORS OF SPINSTER HOMOLOG 2 (SPNS2) FOR USE IN THERAPY LYNCH KEVIN R (US) 2020-07-30 WO disclosed