SCHEMBL22265447

SCHEMBL22265447

CCCCc1ccc(Nc2ccc(-c3noc(C4CCN(C(=O)O)C4)n3)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 10/20 0.49
SPHK1 Q9NYA1 6/20 0.49
HTT P42858 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
HSD11B1 P28845 2/20 0.43
TUBB4A P04350 2/20 0.43
TUBB P07437 2/20 0.43
TUBA3C P0DPH7 2/20 0.43
TUBA1B P68363 2/20 0.43
TUBA4A P68366 2/20 0.43
TUBB4B P68371 2/20 0.43
TUBB3 Q13509 2/20 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
SCHEMBL22265444 1.00 SPHK2 (0.49) SPHK2SPHK1HTTCYP1A2POLB
SCHEMBL22265356 0.97 SPHK2 (0.53) SPHK2SPHK1HTTCYP1A2POLB
SCHEMBL22265353 0.97 SPHK2 (0.53) SPHK2SPHK1HTTCYP1A2POLB
SCHEMBL29523301 0.89 SPHK2 (0.45) SPHK2SPHK1HTTCYP1A2POLB
Hydrochloric Acid SCHEMBL22265986 0.89 SPHK2 (0.60) SPHK2SPHK1
Hydrochloric Acid SCHEMBL22265983 0.89 SPHK2 (0.60) SPHK2SPHK1
SCHEMBL29523920 0.86 SPHK2 (0.49) SPHK2SPHK1HTTCYP1A2POLB
Hydrochloric Acid SCHEMBL22265322 0.86 SPHK2 (0.65) SPHK2SPHK1
Hydrochloric Acid SCHEMBL22265323 0.86 SPHK2 (0.65) SPHK2SPHK1
SCHEMBL22265767 0.84 SPHK2 (0.68) SPHK2SPHK1HTTCYP1A2POLB

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