SCHEMBL9872449

SCHEMBL9872449

Cc1cccc(C)c1NC(=O)Nc1nnnn1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
SCN4A P35499 2/20 0.44
ALDH1A1 P00352 6/20 0.44
LMNA P02545 3/20 0.43
CYP1A2 P05177 2/20 0.43
HTT P42858 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MAPT P10636 3/20 0.43
RECQL P46063 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 2/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL9872794 0.85 SOAT2 (0.46) MAPK1LMNASMN1; SMN2
SCHEMBL9874162 0.76 CYP1A2 (0.49) SCN4AALDH1A1LMNACYP1A2CYP2C9
SCHEMBL1414347 0.72 LMNA (0.57) MAPK1ALDH1A1LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL1414300 0.71 LMNA (0.55) MAPK1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL9133647 0.70 AURKA (0.57) ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL30051979 0.70 MAPT (0.67) MAPK1SCN4AALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL30900133 0.69 LMNA (0.53) ALDH1A1LMNACYP1A2HTTCYP2C9
SCHEMBL20561612 0.68 HDAC6 (0.41) MAPK1ALDH1A1LMNAHTTHDAC6
SCHEMBL3035928 0.67 LMNA (0.62) MAPK1ALDH1A1LMNATSHRRAB9A
SCHEMBL5815057 0.67 P2RX7 (0.74) ALDH1A1LMNA

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
WO-1991017150-A1 TETRAZOLE UREA AND THIOUREA ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1991-11-14 WO claimed
US-5073565-A Atherosclerosis, anticholesterol WARNER-LAMBERT COMPANY (US) 1991-12-17 US disclosed
WO-1991017150-A1 TETRAZOLE UREA AND THIOUREA ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1991-11-14 WO disclosed