SCHEMBL10396387

SCHEMBL10396387

BrCc1ccccc1-c1onc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MEN1 O00255 4/20 0.32
▸ KMT2A Q03164 4/20 0.32
▸ IP6K1 Q92551 4/20 0.32
▸ KDM4E B2RXH2 3/20 0.32
▸ IP6K3 Q96PC2 3/20 0.32
▸ IP6K2 Q9UHH9 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ USP2 O75604 2/20 0.31
▸ GAA P10253 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ THRB P10828 2/20 0.31
▸ APAF1 O14727 1/20 0.31
▸ CASP1 P29466 1/20 0.31

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
SCHEMBL31001160 0.75 ALDH1A1 (0.46) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL10396913 0.73 IP6K1 (0.47) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL5044710 0.71 ELANE (0.41) ELANEALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL5707682 0.70 ALDH1A1 (0.46) ELANEALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL6691319 0.70 ALDH1A1 (0.55) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL10396386 0.70 ALDH1A1 (0.44) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL31040367 0.69 IDO1 (0.37) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL2492556 0.69 ALDH1A1 (0.62) ALDH1A1HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL1309790 0.69 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL10892049 0.66 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2AKDM4E

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-4898874-A Acetic acid derivatives of 3-aryl-2,1-benzisoxazole and esters and amides thereof A. H. ROBINS COMPANY, INC. (US) 1990-02-06 — — US disclosed
EP-0260924-A1 Antiinflammatory derivatives of 3-aryl-2,1-benzisoxazole A.H. ROBINS COMPANY, INCORPORATED (US) 1988-03-23 — — EP disclosed
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