SCHEMBL4966227

SCHEMBL4966227

CN1[CH]C=Cc2cc(Cl)ccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 1/20 0.38
POLB P06746 1/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
TERT O14746 1/20 0.34
LMNA P02545 2/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
OPRK1 P41145 2/20 0.32
GAA P10253 1/20 0.32
TSPO P30536 1/20 0.32
NR1I2 O75469 1/20 0.32

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
SCHEMBL4962293 0.74 MCL1 (0.33) LMNATSHRALDH1A1
SCHEMBL3585234 0.71 MTNR1A (0.43) LMNATP53TSHRADRA1ASLC6A3
Iodide SCHEMBL28915713 0.68 HSD17B3 (0.40) HSD17B3POLBCA12CA2CA4
SCHEMBL23336057 0.67 GRIA1 (0.41) HSD17B3POLBCA12CA2CA4
SCHEMBL27735960 0.64 POLB (0.40) POLBCA12CA2CA4CA7
SCHEMBL7793703 0.61 TP53 (0.36) LMNATP53ALOX15TSHRHTR2C
SCHEMBL18637228 0.61 AHR (0.54) POLBCA12CA2CA4CA7
SCHEMBL7799447 0.59
SCHEMBL17592884 0.59 POLB (0.43) HSD17B3POLBCA12CA2CA4
SCHEMBL19848454 0.58 POLB (0.43) POLBCA12CA2CA4CA7

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-1896265-A1 OPTICAL INFORMATION-RECORDING MEDIUM AND INFORMATION-RECORDING METHOD Fujifilm Corporation (JP) 2008-03-12 EP disclosed
WO-2007001095-A1 OPTICAL INFORMATION-RECORDING MEDIUM AND INFORMATION-RECORDING METHOD FUJIFILM CORPORATION (JP) 2007-01-04 WO disclosed