SCHEMBL29989288

SCHEMBL29989288

Clc1cc(Br)ccc1OCc1ccccn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 3/20 0.57
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
CCR5 P51681 1/20 0.51
EGFR P00533 4/20 0.49
ERBB2 P04626 4/20 0.49
ERBB3 P21860 1/20 0.49
ERBB4 Q15303 1/20 0.49
KDM4E B2RXH2 3/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC6A4 P31645 1/20 0.48
GAA P10253 1/20 0.48
LCK P06239 1/20 0.47

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
SCHEMBL17385133 1.00 SYK (0.57) SYKRAB9ANPC1ALDH1A1MAPT
SCHEMBL2760112 0.85 SYK (0.59) SYKRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL29568574 0.83 SYK (0.58) SYKMAPTEGFRERBB2ERBB3
SCHEMBL21340419 0.83 SYK (0.58) SYKMAPTEGFRERBB2ERBB3
SCHEMBL29638125 0.82 SYK (0.78) SYKEGFRERBB2ERBB3ERBB4
SCHEMBL27096824 0.82 SYK (0.61) SYKRAB9ANPC1ALDH1A1MAPT
SCHEMBL29195674 0.82 CCR5 (0.51) SYKALDH1A1CCR5KDM4EPKM
SCHEMBL159323 0.82 SYK (0.78) SYKEGFRERBB2ERBB3ERBB4
Ammonia Solution, Strong SCHEMBL23859934 0.81 SYK (0.76) SYKEGFRERBB2ERBB3ERBB4
Hydrochloric Acid SCHEMBL6239858 0.81 SYK (0.76) SYKSMN1; SMN2EGFRERBB2ERBB3

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
CN-113493439-B Substituted acrylamide derivative, composition and application thereof 深圳市塔吉瑞生物医药有限公司 2022-10-14 CN disclosed