SCHEMBL9435348

SCHEMBL9435348

Oc1ccc(-c2nncs2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
MAPT P10636 7/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
USP2 O75604 2/20 0.44
PKM P14618 2/20 0.44
TP53 P04637 2/20 0.44
NFKB1 P19838 2/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ESR2 Q92731 4/20 0.42
ESR1 P03372 4/20 0.42
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40

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
SCHEMBL7566383 0.78 KDM4E (0.42) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL7146697 0.78 FBP1 (0.47) GAAMGAMSIMGAM2MAPT
SCHEMBL15739862 0.78 RAB9A (0.42) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL3721048 0.78 ALDH1A1 (0.47) GAASMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL11238301 0.78 PDPK1 (0.42) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL19219056 0.77 LMNA (0.46) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL5573502 0.76 HSD17B1 (0.61) SMN1; SMN2RAB9ATP53NFKB1NFKB2
SCHEMBL3225350 0.76 KDM4E (0.45) MAPTSMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL10162230 0.75 NPC1 (0.45) GAAMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL12925903 0.74 RAB9A (0.51) MAPTSMN1; SMN2NPC1RAB9ATP53

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
WO-1994022846-A1 COMPOUNDS ENHANCING ANTITUMOR ACTIVITY OF OTHER CYTOTOXIC AGENTS PFIZER INC. (US) 1994-10-13 WO disclosed
EP-0364923-A2 Mesomorphic compound, liquid crystal composition containing same and liquid crystal device using same CANON KABUSHIKI KAISHA (JP) 1990-04-25 EP disclosed