SCHEMBL31733680

SCHEMBL31733680

NC(=O)c1ccc2cc(F)ccc2n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.55
▸ GRM2 Q14416 9/20 0.47
▸ PTPN1 P18031 1/20 0.46
▸ METAP2 P50579 1/20 0.44
▸ HSD17B14 Q9BPX1 2/20 0.42
▸ PIM1 P11309 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ SCN7A Q01118 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ SCN9A Q15858 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
Hydrochloric Acid SCHEMBL31733671 0.98 BACE1 (0.53) BACE1GRM2PTPN1METAP2HSD17B14
SCHEMBL5180091 0.84 MGAM (0.56) BACE1HSD17B14HDAC1HDAC2TSHR
SCHEMBL16093684 0.79 BACE1 (0.55) BACE1GRM2PTPN1PIM1HDAC1
SCHEMBL8007815 0.79 NCK1 (0.55) BACE1GRM2PTPN1HSD17B14PIM1
SCHEMBL5625543 0.79 GRM2 (0.47) BACE1GRM2PTPN1METAP2PIM1
SCHEMBL14339761 0.78 MAPT (0.48) BACE1HDAC1HDAC2TSHRMAPT
SCHEMBL27902504 0.78 BACE1 (0.58) BACE1PTPN1SCN7AKCNH2SCN9A
SCHEMBL30387658 0.78 BACE1 (0.58) BACE1PTPN1SCN7AKCNH2SCN9A
SCHEMBL1668204 0.77 TDP1 (0.46) PTPN1HSD17B14PIM1MAPT
SCHEMBL4986476 0.76 PIM1 (0.42) GRM2PTPN1PIM1MAPT

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
WO-2025237891-A1 QUINOLINE-2-CARBOXAMIDE DERIVATIVES AS RAD51 INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2025-11-20 — — WO claimed
WO-2025237891-A1 QUINOLINE-2-CARBOXAMIDE DERIVATIVES AS RAD51 INHIBITORS FOR THE TREATMENT OF CANCER NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2025-11-20 — — WO disclosed
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