SCHEMBL31401464

SCHEMBL31401464

CC(O)c1cc(Cl)cc(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 3/20 0.59
HCAR1 Q9BXC0 1/20 0.52
HCAR2 Q8TDS4 1/20 0.41
TTR P02766 3/20 0.41
RXRA P19793 2/20 0.40
RXRB P28702 2/20 0.40
TSHR P16473 2/20 0.39
ALOX15 P16050 1/20 0.39
GRN P28799 1/20 0.38
SORT1 Q99523 1/20 0.38
ADRB1 P08588 3/20 0.37
ADRB3 P13945 3/20 0.37
ADRB2 P07550 1/20 0.37
GPR139 Q6DWJ6 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL17755106 0.86 TPMT (0.61) TPMTHCAR1HCAR2TTRRXRA
SCHEMBL28283450 0.86 TPMT (0.46) TPMTHCAR1TTRRXRARXRB
SCHEMBL22081877 0.83 TPMT (0.57) TPMTHCAR1HCAR2TTRRXRA
SCHEMBL16957565 0.83 TPMT (0.57) TPMTHCAR1HCAR2TTRRXRA
SCHEMBL22081904 0.80 ALDH1A1 (0.46) TSHRALOX15ADRB1ADRB3ADRB2
SCHEMBL16094124 0.79 TSHR (0.44) TPMTTSHRGRNSORT1ADRB2
SCHEMBL9027044 0.79 TSHR (0.44) TPMTTSHRGRNSORT1ADRB2
SCHEMBL11898232 0.79 TSHR (0.44) TPMTTSHRGRNSORT1ADRB2
SCHEMBL19667846 0.79 GABRA1 (0.42) TSHRGRNSORT1ADRB2
SCHEMBL22926414 0.78 TPMT (0.61) TPMTHCAR1HCAR2TTRRXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739682-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS Janssen Pharmaceutica NV (BE) 2026-05-13 EP disclosed
WO-2025008058-A1 1,6-NAPHTHRIDINE COMPOUNDS AS SMARCA2 INHIBITORS USEFUL FOR THE TREATMENT OF SMARCA4 DEFICIENT CANCERS JANSSEN PHARMACEUTICA NV (BE) 2025-01-09 WO disclosed