SCHEMBL8998901

SCHEMBL8998901

COC(=O)c1ccc(CNC(=O)CCc2c[nH]c3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.64
ALDH1A1 P00352 2/20 0.63
EGFR P00533 1/20 0.62
SRC P12931 1/20 0.62
LMNA P02545 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
KMT2A Q03164 4/20 0.61
MEN1 O00255 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
GFER P55789 1/20 0.60
HPGD P15428 1/20 0.60
POLB P06746 1/20 0.59
GPR84 Q9NQS5 1/20 0.58
GAA P10253 1/20 0.57
MTNR1A P48039 1/20 0.54

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
SCHEMBL7847028 0.87 MAPT (0.80) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL7853851 0.86 MAPT (0.66) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL7838803 0.85 LMNA (0.76) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL4932422 0.85 KMT2A (0.73) LMNAKMT2AMEN1POLBGPR84
SCHEMBL8998953 0.85 EGFR (0.67) MAPTALDH1A1EGFRSRCLMNA
SCHEMBL7846817 0.83 MAPT (0.78) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL8696236 0.83 LMNA (0.66) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL7850581 0.83 KMT2A (0.65) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL7852416 0.83 MAPT (0.66) MAPTALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL2884867 0.82 GPR84 (0.74) MAPTKMT2AMEN1POLBGPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5556874-A ENZYME INHIBITORS AS ANTICARCINOGENIC AGENTS WARNER LAMBERT COMPANY (US) 1996-09-17 US disclosed
US-5464861-A Anticarcinogenic agents WARNER-LAMBERT (US) 1995-11-07 US disclosed
EP-0654024-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1995-05-24 EP disclosed
WO-1994003427-A1 2-THIOINDOLES (SELENOINDOLES) AND RELATED DISULFIDES (SELENIDES) WHICH INHIBIT PROTEIN TYROSINE KINASES AND WHICH HAVE ANTITUMOR PROPERTIES WARNER-LAMBERT COMPANY (US) 1994-02-17 WO disclosed