SCHEMBL9860126

SCHEMBL9860126

CCC(Oc1ccccc1)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
KMT2A Q03164 2/20 0.44
CASP3 P42574 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 3/20 0.41
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
TNF P01375 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
NFKB1 P19838 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
SCHEMBL7379214 0.88 KMT2A (0.43) TDP1KMT2ACASP3RAB9APOLB
SCHEMBL8554986 0.84 TDP1 (0.42) TDP1KMT2ALMNAMAPTRAB9A
SCHEMBL11996368 0.82 NR1H2 (0.42) TDP1MAPTRAB9ASMN1; SMN2
SCHEMBL10719288 0.81 TDP1 (0.46) TDP1CASP3LMNAMAPTRAB9A
SCHEMBL8688235 0.78 LMNA (0.45) TDP1KMT2ALMNASMN1; SMN2POLB
SCHEMBL9831506 0.75 TDP1 (0.41) TDP1CASP3LMNAPOLBALDH1A1
SCHEMBL14681655 0.74 TDP1 (0.55) TDP1KMT2ALMNAMAPTRAB9A
SCHEMBL14681604 0.74 TDP1 (0.55) TDP1KMT2ALMNAMAPTRAB9A
SCHEMBL6364898 0.72 TDP1 (0.52) TDP1KMT2ACASP3LMNARAB9A
SCHEMBL5490233 0.72 TDP1 (0.52) TDP1KMT2ACASP3LMNARAB9A

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-4988828-A Antiulcer agents, antagonist for histamine H2 receptors FUJIREBIO KABUSHIKI KAISHA (JP) 1991-01-29 US disclosed
EP-0318036-A2 Phenoxypropyl derivatives FUJIREBIO KABUSHIKI KAISHA (JP) 1989-05-31 EP disclosed