Butane

Butane

SCHEMBL9352014

CCCC.O=C(O)c1cc2ccccc2nc1C(=O)O

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 5/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 3/20 0.52
MAPT P10636 1/20 0.52
IKBKB O14920 1/20 0.45
ABCC1 P33527 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TSHR P16473 1/20 0.43
MGAM O43451 2/20 0.42
HPGD P15428 1/20 0.42
IDO1 P14902 1/20 0.42
DHODH Q02127 1/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL30034075 0.92 ALDH1A1 (0.61) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL70017 0.92 ALDH1A1 (0.61) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
Water SCHEMBL10410161 0.90 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
Water SCHEMBL10472756 0.90 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9622111 0.90 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL28389068 0.90 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
Formic Acid SCHEMBL27968869 0.85 ALDH1A1 (0.54) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9632211 0.83 ALDH1A1 (0.51) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9630469 0.83 ALDH1A1 (0.55) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL9681933 0.80 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0402561-B1 Process for the manufacture of anilinofumarate via chloromaleate or chlorofumarate or mixtures thereof AMERICAN CYANAMID CO (US) 1994-10-05 EP disclosed
EP-0402561-A2 Process for the manufacture of anilinofumarate via chloromaleate or chlorofumarate or mixtures thereof AMERICAN CYANAMID COMPANY (US) 1990-12-19 EP disclosed
US-4904816-A Process for the manufacture of anilinofumarate via chloromaleate or chlorofumarate or mixtures thereof AMERICAN CYANAMID COMPANY (US) 1990-02-27 US disclosed