SCHEMBL11370901

SCHEMBL11370901

COC(=O)C1Cc2ccc(C(=O)c3cccnc3)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
MMP2 P08253 1/20 0.41
ANPEP P15144 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
POLB P06746 1/20 0.40
SCD O00767 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
GAA P10253 3/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 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
SCHEMBL11361750 0.84 ELANE (0.46) ALDH1A1KMT2ACYP1A2POLBTDP1
SCHEMBL9199373 0.81 F7 (0.45) ALDH1A1KMT2AGAAHTTRAB9A
SCHEMBL9206563 0.81 CA1 (0.48) ALDH1A1CYP1A2SMN1; SMN2HTT
SCHEMBL11370498 0.78 KMT2A (0.41) ALDH1A1KMT2ACYP1A2CYP3A4TSHR
SCHEMBL11366926 0.77 TBXA2R (0.39) ALDH1A1KMT2A
SCHEMBL11357792 0.76 ALDH1A1 (0.50) ALDH1A1KMT2ACYP1A2CYP3A4SMN1; SMN2
SCHEMBL11367034 0.75 KMT2A (0.39) ALDH1A1KMT2A
SCHEMBL30047093 0.74 KMT2A (0.50) ALDH1A1KMT2AGAA
SCHEMBL11361671 0.74 ALDH1A1 (0.48) ALDH1A1KMT2ASMN1; SMN2TSHRPOLB
SCHEMBL11362061 0.74 HPGD (0.47) ALDH1A1KMT2ACYP1A2SMN1; SMN2TSHR

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
US-4269848-A ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIPYRETICS LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1981-05-26 US disclosed
US-4224341-A ANTIINFLAMMATORY AGENTS, ANALGESICS AND ANTIPYRETICS LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1980-09-23 US disclosed