SCHEMBL19979600

SCHEMBL19979600

C/C=C\C=C(/C)c1sc(-c2ccc(Cl)cc2)cc1C1=C(c2cc(-c3ccccc3)sc2-c2ccccc2)C(F)(F)C(F)(F)C1(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HSD17B1 P14061 1/20 0.33
TP53 P04637 1/20 0.32
KDM4E B2RXH2 3/20 0.31
NPSR1 Q6W5P4 2/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
KMT2A Q03164 1/20 0.31
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
PTP4A3 O75365 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
SCHEMBL10002017 0.83 HSD17B1 (0.41) HSD17B1ESR1ESR2NPC1RAB9A
SCHEMBL14838335 0.78 ESR1 (0.44) MAPTALDH1A1POLBHSD17B1KDM4E
SCHEMBL916777 0.76 HSD17B1 (0.47) MAPTALDH1A1HSD17B1KDM4EESR1
SCHEMBL14838368 0.72 ESR1 (0.36) MAPTALDH1A1POLBHSD17B1TP53
SCHEMBL16021787 0.72 HSD17B1 (0.40) MAPTHSD17B1ESR1ESR2PTP4A3
SCHEMBL14838323 0.72 HSD17B1 (0.41) MAPTALDH1A1HSD17B1ESR1ESR2
SCHEMBL14838518 0.71 HSD17B1 (0.42) ALDH1A1POLBHSD17B1ESR1ESR2
SCHEMBL14838269 0.71 HSD17B1 (0.42) MAPTHSD17B1KDM4ENPSR1ESR1
SCHEMBL14838329 0.71 HSD17B1 (0.39) MAPTALDH1A1HSD17B1ESR1ESR2
SCHEMBL21291302 0.71 HSD17B1 (0.32) HSD17B1PTP4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440967-B1 VARIABLE TRANSMITTANCE OPTICAL FILTER AND USES THEREOF SWITCH MAT INC (CA) 2018-03-21 EP disclosed