SCHEMBL10508145

SCHEMBL10508145

Nc1ccccc1C(=O)OCCN1CCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.67
KMT2A Q03164 3/20 0.67
ALDH1A1 P00352 7/20 0.57
TSHR P16473 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
THPO P40225 1/20 0.57
PMP22 Q01453 1/20 0.56
HSD17B10 Q99714 5/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
GLA P06280 2/20 0.56
CYP3A4 P08684 2/20 0.56
TP53 P04637 1/20 0.56
MAPK1 P28482 1/20 0.56
HIF1A Q16665 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56

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
SCHEMBL10512022 0.99 KMT2A (0.69) HPGDKMT2AALDH1A1TSHRCYP1A2
SCHEMBL10512031 0.99 KMT2A (0.69) HPGDKMT2AALDH1A1TSHRCYP1A2
SCHEMBL10512607 0.92 KMT2A (0.57) HPGDKMT2AALDH1A1TSHRCYP1A2
SCHEMBL10509336 0.91 KMT2A (0.60) HPGDKMT2AALDH1A1TSHRCYP1A2
SCHEMBL10511481 0.91 KMT2A (0.60) HPGDKMT2AALDH1A1TSHRCYP1A2
SCHEMBL11748090 0.85 HTR4 (0.65) HPGDKMT2AALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL11753843 0.84 HTR4 (0.64) HPGDKMT2AALDH1A1TSHRHSD17B10
Cyclopropane SCHEMBL3683747 0.82 ALDH1A1 (0.73) HPGDKMT2AALDH1A1TSHRHSD17B10
SCHEMBL11335713 0.82 KMT2A (0.71) HPGDKMT2AALDH1A1TSHRCYP1A2
SCHEMBL10174502 0.81 KMT2A (0.65) HPGDKMT2AALDH1A1TSHRCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0094065-B1 2-AMINOBENZOIC ACID DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS FERRER INTERNACIONAL, S.A. (ES) 1989-12-20 EP disclosed