SCHEMBL11991137

SCHEMBL11991137

O=P(c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(-c2ccc(P(=O)(c3ccc(F)cc3)c3ccc(F)cc3)cn2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ PTPN1 P18031 1/20 0.38
▸ PTPN6 P29350 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ P4HTM Q9NXG6 3/20 0.33
▸ P4HA1 P13674 1/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ CCR1 P32246 1/20 0.32
▸ CCR5 P51681 1/20 0.32
▸ CCR8 P51685 1/20 0.32
▸ GRM5 P41594 1/20 0.31
▸ F2 P00734 1/20 0.31
▸ PLAU P00749 1/20 0.31
▸ KLKB1 P03952 1/20 0.31
▸ ELANE P08246 1/20 0.31
▸ DGAT1 O75907 1/20 0.31
▸ HDAC3 O15379 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC2 Q92769 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
SCHEMBL14076802 0.82 LMNA (0.44) PTPN1P4HTMP4HA1
SCHEMBL779999 0.80 CES2 (0.39) NPC1PTPN1
SCHEMBL9927352 0.80 CES2 (0.39) NPC1PTPN1
SCHEMBL11991721 0.79 KMT2A (0.39) NPC1HDAC6HDAC3HDAC1HDAC2
Hydrogen Peroxide SCHEMBL8672187 0.75 BCL2L1 (0.46) NPC1PTPN1
Hydrogen Peroxide SCHEMBL8672190 0.75 BCL2L1 (0.46) NPC1PTPN1
SCHEMBL11991140 0.75 BCL2L1 (0.46) NPC1PTPN1
SCHEMBL11991149 0.74 CCR1 (0.37) CCR1CCR5CCR8
SCHEMBL19342205 0.74 KDM4E (0.48) NPC1P4HTMCCR1CCR5CCR8
SCHEMBL25169259 0.74 CA2 (0.42) P4HTMP4HA1HDAC6CCR1CCR5

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
US-20120211082-A1 PHOTOELECTRIC CONVERSION DEVICE AND SOLAR CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-23 — — US disclosed
US-20120211082-A1 PHOTOELECTRIC CONVERSION DEVICE AND SOLAR CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-23 — — US disclosed
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