SCHEMBL8582997

SCHEMBL8582997

CC(C)(C=CI)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.40
CYP19A1 P11511 2/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
MIF P14174 1/20 0.35
CYP2A6 P11509 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
GRIN2D O15399 1/20 0.34

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
SCHEMBL8582990 1.00 MEN1 (0.46) MEN1KMT2ASMN1; SMN2MAPK1NPSR1
SCHEMBL8587130 0.75 MEN1 (0.43) MEN1KMT2ASMN1; SMN2MAPK1NPSR1
SCHEMBL7621951 0.75 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2MAPK1NPSR1
SCHEMBL8587135 0.75 MEN1 (0.43) MEN1KMT2ASMN1; SMN2MAPK1NPSR1
SCHEMBL7621956 0.75 SMN1; SMN2 (0.44) MEN1KMT2ASMN1; SMN2MAPK1NPSR1
SCHEMBL20876285 0.75 KMT2A (0.52) MEN1KMT2ASMN1; SMN2MAPK1NPSR1
SCHEMBL1806495 0.75 MEN1 (0.52) MEN1KMT2ASMN1; SMN2MAPK1NPSR1
SCHEMBL8585910 0.74 CYP19A1 (0.42) MEN1KMT2AMAPK1LMNACYP19A1
SCHEMBL8881575 0.74 CYP19A1 (0.42) MEN1KMT2AMAPK1LMNACYP19A1
SCHEMBL2799509 0.73 MEN1 (0.50) MEN1KMT2ASMN1; SMN2MAPK1NPSR1

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-1998020878-A1 5-[φ-(SUBSTITUTED ARYL)ALKENYLENE AND ALKYNYLENE]-2,4-DIAMINOPYRIMIDINES AS PESTICIDES FMC CORPORATION (US) 1998-05-22 WO disclosed
US-5696259-A 2,4-diamino-5-iodopyrimidines useful as pesticide intermediates FMC CORPORATION (US) 1997-12-09 US disclosed
US-5622954-A INSECTICIDE FMC CORPORATION (US) 1997-04-22 US disclosed