SCHEMBL9700935

SCHEMBL9700935

O=C(S)NCc1ccccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
MEN1 O00255 5/20 0.58
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
CYP2C19 P33261 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
PTPN1 P18031 1/20 0.57
ALDH1A1 P00352 7/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.51
KDM4E B2RXH2 2/20 0.51
CA12 O43570 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
SCHEMBL7592297 0.85 NPC1 (0.54) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL1252918 0.85 KMT2A (0.64) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL10341802 0.83 NPC1 (0.58) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL20511418 0.83 MEN1 (0.62) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL9366252 0.81 ALDH1A1 (0.58) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL20495063 0.81 MEN1 (0.59) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL513780 0.81 PTPN1 (0.61) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL3957352 0.81 CYP2C19 (0.60) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL19246201 0.81 HPGD (0.64) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL514347 0.80 PTPN1 (0.64) KMT2AMEN1NPC1RAB9ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992006081-A1 ANILIDE DERIVATIVES WITH ANGIOTENSIN II ANTAGONIST PROPERTIES WARNER-LAMBERT COMPANY (US) 1992-04-16 WO disclosed
US-5045540-A Amide or urea compounds containing imidazole groups WARNER-LAMBERT CO. (US) 1991-09-03 US disclosed
US-5041552-A Treatment of hypertension, heart failure, glaucoma and hyperaldosteronism WARNER-LAMBERT COMPANY (US) 1991-08-20 US disclosed