SCHEMBL17448003

SCHEMBL17448003

Cc1ccc(Cc2cc(C(=O)O)ncc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 5/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ THPO P40225 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SRD5A2 P31213 1/20 0.44

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
SCHEMBL17440026 0.81 CHRM1 (0.41) P4HTMKDM4EMEN1ALDH1A1LMNA
SCHEMBL17440142 0.80 CHRM1 (0.44) KMT2ACHRM1PDE2APDE11A
SCHEMBL17440130 0.80 CHRM1 (0.61) P4HTMKDM4EMEN1ALDH1A1LMNA
SCHEMBL17440123 0.79 CHRM1 (0.65) CHRM1
SCHEMBL17440138 0.79 CHRM1 (0.44) LMNAMAPTTDP1CHRM1PDE2A
SCHEMBL17440089 0.79 AXL (0.40) KDM4EALDH1A1L3MBTL1CHRM1PDE2A
SCHEMBL18725363 0.74 GABRP (0.46) KDM4EALDH1A1LMNACYP1A2CYP3A4
SCHEMBL12810913 0.74 KDM4E (0.49) P4HTMKDM4EMEN1ALDH1A1LMNA
SCHEMBL27671512 0.74 RXRA (0.51) MEN1ALDH1A1LMNATSHRKMT2A
SCHEMBL18725435 0.73 ALDH1A1 (0.47) KDM4EALDH1A1CYP1A2CYP3A4L3MBTL1

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
WO-2016009297-A1 PYRIDINE DERIVATIVES AS MUSCARINIC M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS PFIZER INC. (US) 2016-01-21 — — WO disclosed
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