SCHEMBL9846375

SCHEMBL9846375

COC(Oc1ccnc(Oc2ccccc2F)n1)=C(C(=O)O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.38
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
BRAF P15056 1/20 0.34
LMNA P02545 1/20 0.34
METAP2 P50579 1/20 0.34
METAP1 P53582 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PARP10 Q53GL7 1/20 0.33
MAPK1 P28482 1/20 0.33
CXCL8 P10145 1/20 0.33
KDM4E B2RXH2 2/20 0.33
PPARG P37231 1/20 0.33
MAPK8 P45983 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FAAH O00519 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL9846369 0.71 KMT2A (0.33) GCKNPC1MAPTRAB9ALMNA
SCHEMBL9846387 0.68 TDP1 (0.49) MAPTRAB9AMAPK1MAPK8ALDH1A1
SCHEMBL4454902 0.68 MEN1 (0.54) NPC1MAPTRAB9ALMNAALDH1A1
SCHEMBL9846380 0.68 MRGPRX4 (0.37) NPC1LMNAMETAP2METAP1HDAC6
SCHEMBL6206065 0.66 TSHR (0.47) NPC1MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL9846360 0.65 LMNA (0.43) NPC1MAPTRAB9ALMNAKDM4E
SCHEMBL6406892 0.65 MAPT (0.50) MAPTLMNAMAPK1KDM4E
SCHEMBL10187131 0.64 ALOX5AP (0.56) MAPTRAB9AKDM4ESMN1; SMN2
SCHEMBL28013165 0.63 TRPA1 (0.40) KDM4E
SCHEMBL7758309 0.62 KDR (0.39) GCKNPC1BRAFLMNAMAPK8

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-0415569-A2 Agrochemical compositions ZENECA LIMITED (GB) 1991-03-06 EP claimed