SCHEMBL11615008

SCHEMBL11615008

O=C(Nc1nccs1)c1cnc2ccccc2c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.60
LMNA P02545 6/20 0.59
HPGD P15428 3/20 0.59
MAPT P10636 3/20 0.59
CYP1A2 P05177 1/20 0.58
NPC1 O15118 6/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
GAA P10253 1/20 0.56
MEN1 O00255 5/20 0.56
KMT2A Q03164 5/20 0.56
HTT P42858 1/20 0.56
L3MBTL1 Q9Y468 4/20 0.53
METAP2 P50579 1/20 0.53
METAP1 P53582 1/20 0.53
PKM P14618 2/20 0.53
KDM4E B2RXH2 3/20 0.53
POLB P06746 2/20 0.53
MCL1 Q07820 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53

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
SCHEMBL11622334 0.83 KCNMA1 (0.65) ALDH1A1LMNAHPGDMAPTCYP1A2
SCHEMBL11861601 0.83 KCNMA1 (0.65) ALDH1A1LMNAHPGDMAPTCYP1A2
SCHEMBL11862403 0.81 MEN1 (0.61) ALDH1A1LMNAHPGDMAPTCYP1A2
SCHEMBL11509919 0.81 NPC1 (0.70) ALDH1A1LMNAHPGDMAPTCYP1A2
SCHEMBL11617695 0.80 ALDH1A1 (0.47) ALDH1A1LMNAHPGDMAPTCYP1A2
SCHEMBL11868327 0.80 KCNMA1 (0.46) ALDH1A1LMNAHPGDMAPTCYP1A2
SCHEMBL11616071 0.80 ALDH1A1 (0.49) ALDH1A1LMNAHPGDMAPTCYP1A2
SCHEMBL9524416 0.80 NPC1 (0.55) ALDH1A1LMNAHPGDMAPTCYP1A2
SCHEMBL11861757 0.78 CYP1A2 (0.47) ALDH1A1HPGDCYP1A2NPC1RAB9A
SCHEMBL11616747 0.78 RAB9A (0.56) ALDH1A1HPGDMAPTNPC1RAB9A

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-4107310-A ANALGESICS ROUSSEL UCLAF (FR) 1978-08-15 US disclosed