SCHEMBL11404997

SCHEMBL11404997

COC(=O)C(=Nc1ccccc1C)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SIGMAR1 Q99720 6/20 0.41
GRIN2D O15399 3/20 0.41
GRIN3B O60391 3/20 0.41
GRIN1 Q05586 3/20 0.41
GRIN2A Q12879 3/20 0.41
GRIN2B Q13224 3/20 0.41
GRIN2C Q14957 3/20 0.41
GRIN3A Q8TCU5 3/20 0.41
MEN1 O00255 1/20 0.41
PABPC1 P11940 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
EBP Q15125 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
CYP3A4 P08684 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL11418654 0.84 SMN1; SMN2 (0.57) TSHRESR1ESR2SMN1; SMN2MEN1
SCHEMBL11415282 0.84 TSHR (0.43) TSHRSMN1; SMN2MEN1ALOX15KMT2A
SCHEMBL11411119 0.83 ESR2 (0.47) TSHRESR1ESR2SMN1; SMN2SIGMAR1
SCHEMBL11408254 0.83 PKM (0.43) TSHRSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL11404073 0.83 HTR3E (0.43) TSHRESR1ESR2SMN1; SMN2MEN1
SCHEMBL31285548 0.80 TSHR (0.48) TSHRSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL26325448 0.80 TSHR (0.48) TSHRSMN1; SMN2MEN1KMT2ARAB9A
SCHEMBL11404995 0.77 RAB9A (0.46) TSHRSMN1; SMN2MEN1KMT2APOLB
SCHEMBL6025442 0.75 GAA (0.57) TSHRSMN1; SMN2MEN1ALOX15KMT2A
SCHEMBL6025444 0.75 GAA (0.57) TSHRSMN1; SMN2MEN1ALOX15KMT2A

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-4230727-A N-BENZYLIDENEANILINE AND DERIVATIVES WILLIAM H. RORER, INC. (US) 1980-10-28 US disclosed
US-4187317-A Sunscreen and erythema treating with N-benzylidene anilenes WILLIAM H. RORER, INC. (US) 1980-02-05 US disclosed