SCHEMBL9837290

SCHEMBL9837290

CCn1ccc(=O)c2cc(F)c(Cl)nc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ ATP6V1B2 P21281 1/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ EDNRA P25101 1/20 0.34
▸ TARBP2 Q15633 1/20 0.34
▸ LRRK2 Q5S007 1/20 0.33
▸ TOP2A P11388 1/20 0.33
▸ TOP2B Q02880 1/20 0.33
▸ BRD9 Q9H8M2 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ABCC4 O15439 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ KEAP1 Q14145 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32

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
SCHEMBL9718015 0.80 MGAM (0.49) TOP2ATOP2BKMT2AMEN1
SCHEMBL30420655 0.77 LMNA (0.47) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8327123 0.76 KMT2A (0.37) LMNACYP2C9KMT2AMEN1KEAP1
SCHEMBL30561558 0.76 LMNA (0.62) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10774710 0.76 LMNA (0.62) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10441784 0.75 LMNA (0.41) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8191328 0.74 TOP2A (0.37) TOP2ATOP2BBRD9
SCHEMBL9541540 0.73 HTR2A (0.37) LMNAKMT2A
SCHEMBL6241091 0.73 LMNA (0.63) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL8813628 0.73 HTR2A (0.43) HDAC6HDAC1LMNACYP2C9BRD9

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0159174-B1 SUBSTITUTED NAPHTHYRIDINE-, QUINOLINE- AND BENZOXAZINE- CARBOXYLIC ACIDS AS ANTIBACTERIAL AGENTS AND PROCESSES FOR THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1991-10-23 — — EP disclosed
US-4571396-A Antibacterial agents WARNER-LAMBERT COMPANY (US) 1986-02-18 — — US disclosed
EP-0159174-A2 Substituted naphthyridine-, quinoline- and benzoxazine- carboxylic acids as antibacterial agents and processes for their production WARNER-LAMBERT COMPANY (US) 1985-10-23 — — EP disclosed
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