SCHEMBL9800976

SCHEMBL9800976

Cc1ccccc1NC=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
GAA P10253 2/20 0.47
DHODH Q02127 1/20 0.47
TSHR P16473 3/20 0.47
KDM4E B2RXH2 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
POLB P06746 2/20 0.44
EGFR P00533 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
ALOX12 P18054 1/20 0.41
PABPC1 P11940 1/20 0.41
RECQL P46063 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL225741 1.00 NPC1 (0.50) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL11409022 0.98 NPC1 (0.48) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL4776892 0.82 KEAP1 (0.52) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL8763290 0.82 ALDH1A1 (0.57) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL30527294 0.82 ALDH1A1 (0.57) NPC1RAB9AALDH1A1MAPTHTT
SCHEMBL12882520 0.81 GAA (0.41) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL9840547 0.80 TSHR (0.39) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL13257963 0.80 NPC1 (0.54) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL13412750 0.79 ALDH1A1 (0.50) NPC1RAB9AHPGDALDH1A1MAPT
SCHEMBL9685869 0.79 TSHR (0.38) NPC1RAB9AHPGDALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025072664-A1 NOVEL SMALL MOLECULE INHIBITORS OF TOPBP1-BRCT7/8 THAT EXERT ANTI-MYC ACTIVITY AND SYNERGY WITH INHIBITORS OF PARP1/2 AND PARP14 BAYLOR COLLEGE OF MEDICINE (US) 2025-04-03 WO disclosed
US-5025096-A Preparation of indole and indole derivatives MINE SAFETY APPLIANCES COMPANY (US) 1991-06-18 US disclosed
EP-0026040-B1 SUBSTITUTED BENZOPHENONE HYDRAZONES, PESTICIDAL COMPOSITIONS CONTAINING THEM AND METHOD OF COMBATING PESTS FBC LIMITED (GB) 1985-03-13 EP disclosed
US-4097599-A PESTICIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1978-06-27 US disclosed
US-4038405-A MITICIDES COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANIZATION (AU) 1977-07-26 US disclosed