SCHEMBL27569685

SCHEMBL27569685

CC=C(CCCCI)c1ccc(-c2ccc(F)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ACKR3 P25106 4/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B1 P14061 2/20 0.39
▸ HSD17B2 P37059 2/20 0.39
▸ ESRRG P62508 4/20 0.39
▸ PTPN2 P17706 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ POLB P06746 1/20 0.35
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ HDAC6 Q9UBN7 3/20 0.33
▸ HDAC1 Q13547 2/20 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
SCHEMBL27569714 0.86 RAB9A (0.46) RAB9AKDM4ENPC1ALDH1A1HPGD
SCHEMBL6610831 0.81 KDM4E (0.43) RAB9AKDM4ENPC1ALDH1A1HPGD
SCHEMBL6610835 0.81 KDM4E (0.43) RAB9AKDM4ENPC1ALDH1A1HPGD
SCHEMBL27550027 0.74 IKBKB (0.47) RAB9AKDM4ENPC1ALDH1A1HPGD
SCHEMBL27574082 0.74 RAB9A (0.44) RAB9AKDM4ENPC1ALDH1A1HPGD
SCHEMBL6612447 0.69 KDM4E (0.43) RAB9AKDM4ENPC1ALDH1A1HPGD
SCHEMBL6612448 0.69 KDM4E (0.43) RAB9AKDM4ENPC1ALDH1A1HPGD
SCHEMBL18634960 0.67 RAB9A (0.59) RAB9AKDM4ENPC1ALDH1A1HPGD
SCHEMBL6614026 0.67 RAB9A (0.51) RAB9AKDM4ENPC1ALDH1A1HPGD
Iodide SCHEMBL6610903 0.66 RAB9A (0.39) RAB9AKDM4ENPC1ALDH1A1HPGD

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
CN-1343206-A Cyclocompound FUJISAWA PHARMACEUTICAL CO (JP) 2002-04-03 — — CN disclosed
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