SCHEMBL9823172

SCHEMBL9823172

Cc1ccc(-c2nc(C(=O)Nc3nnn[nH]3)c(C)s2)s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.35
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
POLB P06746 1/20 0.31
IKBKE Q14164 3/20 0.31
TBK1 Q9UHD2 3/20 0.31
CNR1 P21554 1/20 0.31
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30

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
SCHEMBL9823368 0.83 IKBKE (0.45) PARP1MEN1KMT2AALDH1A1MAPT
SCHEMBL9823493 0.80 KDM4E (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL9823518 0.80 KDM4E (0.45) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL6506142 0.72 DAO (0.44) MEN1KMT2AALDH1A1CYP1A2MAPT
SCHEMBL9823324 0.71 TBK1 (0.45) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL10933659 0.70 GRM5 (0.40) KMT2A
SCHEMBL10776251 0.68 KDM4E (0.38) KMT2AALDH1A1MAPT
SCHEMBL10937760 0.68 KIT (0.45) KMT2AALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL9833422 0.68 ALOX5 (0.50) MEN1KMT2AALDH1A1CYP1A2MAPT
SCHEMBL9756846 0.67 NPC1 (0.42) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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-0262873-B1 N-TETRAZOLYL THIAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-21 EP disclosed
US-4879295-A ANTIALLERGENS SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-11-07 US disclosed