SCHEMBL9166334

SCHEMBL9166334

N#CNC(=O)Nc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.64
TP53 P04637 1/20 0.64
EPHX1 P07099 1/20 0.64
TSHR P16473 1/20 0.64
EPHX2 P34913 1/20 0.64
CDK9 P50750 1/20 0.64
CLK4 Q9HAZ1 1/20 0.64
KDM4E B2RXH2 2/20 0.56
GAA P10253 2/20 0.56
CASP3 P42574 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
MAOA P21397 2/20 0.53
MAOB P27338 2/20 0.53
RAB9A P51151 4/20 0.52
TAAR1 Q96RJ0 3/20 0.52
NPC1 O15118 3/20 0.52
KMT2A Q03164 3/20 0.52
CXCR2 P25025 2/20 0.50
MEN1 O00255 2/20 0.50
ACP1 P24666 2/20 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
SCHEMBL11359452 0.80 TDP1 (0.53) SMN1; SMN2TP53EPHX1KDM4EGAA
SCHEMBL9274303 0.80 MDM2 (0.67) SMN1; SMN2EPHX1KDM4EGAARAB9A
Diphenylurea SCHEMBL133103 0.79 SMN1; SMN2 (1.00) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL3264574 0.79 SMN1; SMN2 (0.64) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL8916095 0.79 SMN1; SMN2 (0.64) SMN1; SMN2TP53EPHX1TSHREPHX2
SCHEMBL3650947 0.78 GAA (0.53) SMN1; SMN2TP53KDM4EGAAMAOA
SCHEMBL19834764 0.78 RAB9A (0.60) TSHRKDM4ERAB9ATAAR1NPC1
SCHEMBL11345729 0.78 HSD17B10 (0.59) SMN1; SMN2EPHX2GAACASP3SENP7
SCHEMBL9550361 0.77 L3MBTL1 (0.61) SMN1; SMN2KDM4EMAPTALDH1A1
Diphenylurea SCHEMBL3037927 0.77 SMN1; SMN2 (0.94) SMN1; SMN2TP53EPHX1TSHREPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7723522-B2 Pyridine derivative production method FUJIFILM FINECHEMICALS CO., LTD (JP) 2010-05-25 US disclosed
US-7723522-B2 Pyridine derivative production method FUJIFILM FINECHEMICALS CO., LTD (JP) 2010-05-25 US disclosed
US-5430147-A Water-soluble anthraquinone compounds, preparation thereof, and use thereof as dyes HOECHST AG (DE) 1995-07-04 US disclosed
US-4529820-A Cyanourea compounds W. R. GRACE & CO. (US) 1985-07-16 US disclosed
US-4465825-A Thermosetting composition from cyanourea compound W. R. GRACE & CO. (US) 1984-08-14 US disclosed
US-4379728-A ADHESIVE, SEALANT OR COATING W. R. GRACE & CO. (US) 1983-04-12 US disclosed
EP-0064479-A1 Layered panel made from cellulosic material, and method of manufacturing the same BATTELLE MEMORIAL INSTITUTE (CH) 1982-11-10 EP disclosed
US-4304935-A Production of 1-phenyl-3-cyanoureas REXOLIN CHEMICALS AB (SE) 1981-12-08 US disclosed
US-4304935-A Production of 1-phenyl-3-cyanoureas REXOLIN CHEMICALS AB (SE) 1981-12-08 US disclosed
US-4304935-A Production of 1-phenyl-3-cyanoureas REXOLIN CHEMICALS AB (SE) 1981-12-08 US disclosed
US-4098788-A Process for preparing quinazolines BRISTOL-MYERS COMPANY (US) 1978-07-04 US disclosed
US-4098788-A Process for preparing quinazolines BRISTOL-MYERS COMPANY (US) 1978-07-04 US disclosed