SCHEMBL9831311

SCHEMBL9831311

O=C(Nc1nc(-c2cccnc2)cs1)c1nnn[nH]1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.60
ALDH1A1 P00352 7/20 0.59
MAPT P10636 5/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
PKM P14618 3/20 0.59
KDM4E B2RXH2 2/20 0.59
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
TDP1 Q9NUW8 1/20 0.57
RECQL P46063 1/20 0.57
ESR2 Q92731 1/20 0.57
MAPK1 P28482 2/20 0.54
POLB P06746 1/20 0.53
PARP1 P09874 1/20 0.51
ABL1 P00519 1/20 0.51
HTT P42858 1/20 0.51
GAA P10253 1/20 0.50
VCP P55072 1/20 0.50

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
SCHEMBL9829808 0.88 RAB9A (0.58) LMNAMAPTRAB9ANPC1MEN1
SCHEMBL9832583 0.86 LMNA (0.57) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL9830713 0.82 HDAC6 (0.52) MAPTRAB9ANPC1MAPK1GAA
SCHEMBL9831892 0.81 ABL1 (0.60) LMNAALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL9829907 0.81 LMNA (0.59) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL9829872 0.81 RAB9A (0.62) ALDH1A1MAPTSMN1; SMN2KDM4ERAB9A
SCHEMBL9830542 0.80 ALDH1A1 (0.66) LMNAALDH1A1MAPTSMN1; SMN2KDM4E
SCHEMBL9830531 0.80 SMN1; SMN2 (0.47) LMNAALDH1A1MAPTSMN1; SMN2PKM
SCHEMBL25287793 0.79 LMNA (0.90) LMNAALDH1A1MAPTSMN1; SMN2PKM
SCHEMBL9831525 0.79 NPC1 (0.60) LMNAALDH1A1MAPTSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321115-B1 CARBOXAMIDE DERIVATIVES HAVING TETRAZOLE AND THIAZOLE RINGS AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4946855-A ANTIALLERGIC SAWAI PHARMACEUTICAL CO., LTD. (JP) 1990-08-07 US disclosed
EP-0321115-A1 Carboxamide derivatives having tetrazole and thiazole rings and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-06-21 EP disclosed