SCHEMBL11686705

SCHEMBL11686705

Clc1ccc(-c2cc3ccccc3[nH]2)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
RAB9A P51151 5/20 0.62
ALDH1A1 P00352 5/20 0.62
KDM4E B2RXH2 5/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
NPC1 O15118 4/20 0.62
HPGD P15428 3/20 0.62
CASP3 P42574 2/20 0.62
SENP8 Q96LD8 2/20 0.62
SENP7 Q9BQF6 2/20 0.62
SENP6 Q9GZR1 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
KDR P35968 2/20 0.53
CHEK1 O14757 1/20 0.53
FFAR1 O14842 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
LMNA P02545 2/20 0.51

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
SCHEMBL6499820 0.86 FFAR1 (0.62) MAPTRAB9AALDH1A1KDM4EMEN1
SCHEMBL28051616 0.84 RAB9A (0.58) MAPTRAB9AALDH1A1KDM4EMEN1
SCHEMBL9469591 0.83 RAB9A (0.58) MAPTRAB9AALDH1A1KDM4EMEN1
Phosphine SCHEMBL27649915 0.82 RAB9A (0.56) MAPTRAB9AALDH1A1KDM4EMEN1
SCHEMBL9469830 0.80 RAB9A (0.58) MAPTRAB9AALDH1A1KDM4EMEN1
SCHEMBL11477517 0.80 MAPT (0.68) MAPTRAB9AALDH1A1KDM4EMEN1
SCHEMBL9838186 0.80 KDM4E (0.54) MAPTRAB9AALDH1A1KDM4EMEN1
SCHEMBL22046430 0.78 KDM4E (0.49) MAPTRAB9AALDH1A1KDM4EMEN1
SCHEMBL11363931 0.77 KDR (0.63) MAPTRAB9AALDH1A1KDM4EMEN1
SCHEMBL5051826 0.77 KDR (0.68) MAPTRAB9AALDH1A1KDM4EMEN1

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
US-4026931-A AZO DYES, FIBER-REACTIVE; INDOLE OR 5-AMINO-PYRAZOLE COUPLING COMPONENT BAYER AKTIENGESELLSCHAFT (DT) 1977-05-31 US disclosed